Compound Identification
SMILES
C[C@H](CNC1=CC=C(C=C1)C(C)C(O)=O)NC[C@H](O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=YMDMBYPZXJRCFW-QWYDSHIESA-N
Formula
C20H25ClN2O3
Mass
376.88
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
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Aromatic alcohols Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-phenylpropanoic-acid - Phenylalkylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Amino acid - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic 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