Structure Information
Structure

Compound Identification

SMILES

CC(C)(CC1CC2=CC=CC=C2C1)NC[C@@H](O)COC1=C(Cl)C=C(CCC(O)=O)C=C1

InChIKey

InChIKey=BXKXKXHUFYKFHW-OAQYLSRUSA-N

Formula

C25H32ClNO4

Mass

445.98

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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 homopolycyclic compounds

Substituents

3-phenylpropanoic-acid - Indane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organochloride - Organohalogen compound - Aromatic homopolycyclic 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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