Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(C=C1)C1N(CC2=C[NH+]=CC=C2)C(=O)C(=O)C1=C([O-])C1=CC=NC=C1

InChIKey

InChIKey=KHQHETOFKSPMMH-UHFFFAOYSA-N

Formula

C26H25N3O3

Mass

427.504

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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-3-ones Pyrrolidine-2-ones Pyridinium derivatives N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Tertiary amines Amino acids and derivatives Cyclic ketones Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylpyrrolidine - Phenylpropane - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Vinylogous acid - Cyclic ketone - Tertiary amine - Carboxamide group - Amino acid or derivatives - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Amine - Carbonyl group - Hydrocarbon derivative - 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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