Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(NC(=O)C1=CC(Cl)=CC=C1)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=VZBJINDNFCJKIE-UHFFFAOYSA-N

Formula

C21H18ClNO3

Mass

367.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Beta amino acid or derivatives - Naphthalene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl halide - Aryl chloride - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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