Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC(=O)OC)C(Br)=CC(C=NNC(=O)CNC(=O)C2=CC(OC)=C(OC)C=C2)=C1

InChIKey

InChIKey=VAYUQHHHGAOVRQ-UHFFFAOYSA-N

Formula

C23H26BrN3O8

Mass

552.378

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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 - Phenoxyacetate - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - 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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