Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(\NC(=O)C1=CC(Br)=CC=C1)=C\C1=CC=C(OC(C)C)C=C1

InChIKey

InChIKey=ACTQTYULAIMJDV-UNOMPAQXSA-N

Formula

C21H22BrNO4

Mass

432.314

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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

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Fatty acid ester - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Fatty acyl - Aryl bromide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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