Structure Information
Structure

Compound Identification

SMILES

[Na+].CCOC(CC1=CC=C(OCCN2CCOC3=CC=CC=C23)C=C1)C([O-])=O

InChIKey

InChIKey=LBTBQOZQOOVWPW-UHFFFAOYSA-M

Formula

C21H24NNaO5

Mass

393.415

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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 - Benzomorpholine - Benzoxazine - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Oxazinane - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic sodium salt - 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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