Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC2=CC(C(=O)NC3(CCOCC3)C3=CC4=CC=CC=C4S3)=C(CCC(O)=O)C=C2)=CC(C)=C1

InChIKey

InChIKey=QEHIYTIHVDFHHC-UHFFFAOYSA-N

Formula

C31H32N2O4S

Mass

528.67

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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 - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - 1-benzothiophene - Benzoic acid or derivatives - Benzothiophene - M-xylene - Xylene - Benzoyl - 2,3,5-trisubstituted thiophene - Aniline or substituted anilines - Monocyclic benzene moiety - Oxane - Primary aromatic amine - Benzenoid - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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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