Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(=C1)C(=O)N1CCN(CC1(CC1=CC=CC=C1)C(O)=O)S(=O)(=O)CC1=CC=CC=C1)C(C)(C)C

InChIKey

InChIKey=NYVHKJOOXKJRTP-UHFFFAOYSA-N

Formula

C31H36N2O6S

Mass

564.7

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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 - Amphetamine or derivatives - Alpha-amino acid or derivatives - Phenylpropane - Piperazine-2-carboxylic acid - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - 1,4-diazinane - Organic sulfonic acid amide - Piperazine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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