Structure Information
Structure

Compound Identification

SMILES

CNCC1=CC(=CC=C1)N=C(C1C(=O)NC2=C1C=CC(Cl)=C2)C1=CC=C(CCC(O)=O)C=C1

InChIKey

InChIKey=YRXSUYZSXZVDTC-UHFFFAOYSA-N

Formula

C26H24ClN3O3

Mass

461.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Indole or derivatives - Dihydroindole - Phenylmethylamine - Benzylamine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azomethine - Secondary ketimine - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Amino acid - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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