Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CN(C(CC2=CC=CC=C2)C(O)=O)C(=O)C2=CC3=CC=CC=C3N12

InChIKey

InChIKey=QCDLORBKUDCIAP-UHFFFAOYSA-N

Formula

C27H22N2O4

Mass

438.483

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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 - Alpha-amino acid or derivatives - Amphetamine or derivatives - Indole or derivatives - Pyrrolopyrazine - Indole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrazine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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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