Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOC2=CC(COCC3=CC=CC=C3)=C(CCC(O)=O)C=C2)N=C(S1)N1CCOCC1

InChIKey

InChIKey=CBJAEXZFWCTMTJ-UHFFFAOYSA-N

Formula

C27H32N2O5S

Mass

496.62

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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 - Benzylether - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - 1,3-thiazol-2-amine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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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