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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Medium-chain fatty acids Heterocyclic fatty acids Branched fatty acids N-substituted imidazoles Dicarboxylic acids and derivatives Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
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