Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(OCC2CN(CCO2)C(=O)C=CC2=CC(OC(F)(F)F)=CC=C2)=CN=C1

InChIKey

InChIKey=YBKFSDIBWLYKCD-UHFFFAOYSA-N

Formula

C22H21F3N2O6

Mass

466.413

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Styrene - Alkyl aryl ether - Morpholine - Oxazinane - Pyridine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Trihalomethane - Dialkyl ether - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Alkyl halide - Halomethane - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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