Structure Information
Structure

Compound Identification

SMILES

CC(C)OC1=CC=C(\C=C(/NC(=O)C2=CC(Br)=CC=C2)C(O)=O)C=C1

InChIKey

InChIKey=SIESFELFBYYEAY-YVLHZVERSA-N

Formula

C19H18BrNO4

Mass

404.26

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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 homomonocyclic compounds

Substituents

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