Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)C1=CC=CC=C1N1C[C@H](CC1=O)C(=O)OCC(=O)[C@@H](C#N)C(C)=N

InChIKey

InChIKey=ZZMCEOOFMAAOEY-QRTARXTBSA-N

Formula

C21H25N3O4

Mass

383.448

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Phenylpropanes Pyrrolidine carboxylic acids Oxoprolines Alpha-acyloxy ketones Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Carboxylic acid esters Ketimines Ketones Lactams Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Phenylpropane - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alpha-acyloxy ketone - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Ketimine - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Imine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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