Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(\NC(=O)C1=C(Cl)C=C(C=C1)C(=O)NCC1=CC2=C(C=CN2)C=C1)=C/C1=CC2=CC=CC=C2N=C1

InChIKey

InChIKey=CVJPEEJYKIOTNP-LGJNPRDNSA-N

Formula

C29H21ClN4O4

Mass

524.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Quinoline - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Pyridine - Aryl chloride - Aryl halide - Pyrrole - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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