Structure Information
Structure

Compound Identification

SMILES

OC1CN=CNC2=C1N=CN2CCCCC(CC1=CC=C(C=C1)C(F)(F)F)(C(O)=O)C(O)=O

InChIKey

InChIKey=JMXRYZISHCQKQY-UHFFFAOYSA-N

Formula

C21H23F3N4O5

Mass

468.433

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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 - Imidazodiazepine - Trifluoromethylbenzene - Imidazo-meta-diazepine - Medium-chain fatty acid - Meta-diazepine - Branched fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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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