Structure Information
Structure

Compound Identification

SMILES

CC(CC(O)=O)N\C(C1=CC=C(Cl)C=C1)=C1\C=C(Cl)C=C(C)C1=O

InChIKey

InChIKey=RCJWTZQHGNEWFH-ICFOKQHNSA-N

Formula

C18H17Cl2NO3

Mass

366.24

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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

O-quinomethanes Chlorobenzenes Aryl chlorides Vinylogous amides Vinyl chlorides Monocarboxylic acids and derivatives Enamines Dialkylamines Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - O-quinomethane - Quinomethane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Cyclic ketone - Ketone - Carboxylic acid - Chloroalkene - Secondary aliphatic amine - Enamine - Haloalkene - Vinyl halide - Monocarboxylic acid or derivatives - Vinyl chloride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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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