Structure & Deep Data of Ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate (C17H23NO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate molecule contains a total of 45 bond(s). There are 22 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s). Images of the chemical structure of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate are given below:

The 2D chemical structure image of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

  The SMILES string of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate is CCOC(=O)CCC(=O)c2ccc(CN1CCCC1)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate.

• Structure Data File (SDF/MOL File) of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

  The structure data file (SDF/MOL File) of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate is available for download in the SDF page of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate, which provides the information about the atoms, bonds, connectivity and coordinates of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate. The ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

  The molecular formula of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate is available in chemical formula page of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

  The molecular weight of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate is available in molecular weight page of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

  The ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate including the various registry numbers, if available:

  • Ethyl 4-oxo-4-{4-[(pyrrolidin-1-yl)methyl]phenyl}butanoate
  • MFCD03841547
  • 898777-07-6
  • ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate

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Ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate?
C17H23NO3
How many atoms and what are the elements included the ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate molecule?
44 atom(s) - 23 Hydrogen atom(s), 17 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate structure?
45 bond(s) - 22 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s)
What’s the ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate’s molecular weight?
289.36942 g/mol
What’s the SMILES code of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate?
CCOC(=O)CCC(=O)c2ccc(CN1CCCC1)cc2
What’s the InChI string of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate?
InChI=1S/C17H23NO3/c1-2-21-17(20)10-9-16(19)15-7-5-14(6-8-15)13-18-11-3-4-12-18/h5-8H,2-4,9-13H2,1H3
What’s the InChIKey code of ethyl 4-oxo-4-[(4-pyrrolidinomthyl)phenyl]butyrate?
BIMOSUOXSXFQSN-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).