Structure Information
Structure

Compound Identification

SMILES

[Cl-].C[N+]1=CN(CCCCCCC[C@@H]([C@H](CC2=CC=CC=C2)C(O)=O)C(O)=O)C=C1

InChIKey

InChIKey=LKOXZWDUYWPZTR-FKLPMGAJSA-N

Formula

C22H31ClN2O4

Mass

422.95

Export to:

JSON SDF CSV

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 heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Azole - Imidazole - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organic salt - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic chloride salt - Organic nitrogen compound - Aromatic heteromonocyclic 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

Previous Back Next