Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NC=C(COC(=O)C(CC2=CC=CC=C2)C(O)=O)N1CC1=CC=CC=C1Cl

InChIKey

InChIKey=JCIMXLRRSOAWNZ-UHFFFAOYSA-N

Formula

C25H27ClN2O4

Mass

454.95

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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 heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - 1,2,5-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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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