Structure Information
Structure

Compound Identification

SMILES

[Na+].CN(C)CC1=CC=C(N\C(=C2/C(=O)NC3=C2C=CC(F)=C3)C2=CC=C(CCC([O-])=O)C=C2)C=C1

InChIKey

InChIKey=PPTZVYZYTDVIFS-OQKDUQJOSA-M

Formula

C27H25FN3NaO3

Mass

481.503

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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 - Indole or derivatives - Dihydroindole - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Organic metal halide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic zwitterion - Amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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