Structure Information
Structure

Compound Identification

SMILES

[Na+].[O-]C(=O)C(CC(=O)N1[C@@H]2CC[C@H]1C1=CC=CC=C21)CC1=CC=CC=C1

InChIKey

InChIKey=KCDSERIUZZAFDW-MWLQPGMVSA-M

Formula

C21H20NNaO3

Mass

357.385

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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 - Tetralin - Isoindoline - Isoindole or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic sodium salt - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - 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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