Structure Information
Structure

Compound Identification

SMILES

CN(CCOC1=CC=C(C[C@H](OCC(F)(F)F)C(O)=O)C=C1)C1=NC2=CC=CC=C2O1

InChIKey

InChIKey=IRAAJHYKQDFNFO-SFHVURJKSA-N

Formula

C21H21F3N2O5

Mass

438.403

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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 - Benzoxazole - Phenoxy compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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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