Compound Identification
SMILES
CC(C)(CC1CC2=CC=CC=C2C1)NC[C@@H](O)COC1=C(Cl)C=C(CCC(O)=O)C=C1
InChIKey
InChIKey=BXKXKXHUFYKFHW-OAQYLSRUSA-N
Formula
C25H32ClNO4
Mass
445.98
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
Indanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-phenylpropanoic-acid - Indane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organochloride - Organohalogen compound - Aromatic homopolycyclic 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