Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC#C)C(Cl)=CC(C=NNC(=O)C(NC(=O)C2=CC(Cl)=C(Cl)C=C2)C(C)C)=C1

InChIKey

InChIKey=JHXXOIKSTHMHDR-UHFFFAOYSA-N

Formula

C24H24Cl3N3O4

Mass

524.82

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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

Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenoxy compound - Phenol ether - Benzoyl - Halobenzene - Chlorobenzene - Alkyl aryl ether - N-acyl-amine - Carboxamide group - Haloacetylene or derivatives - Acetylide - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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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