Compound Identification
SMILES
CCOC1=C(C=C(C(CC(O)=O)CC(=O)N(CCCl)CCCl)C(C)=C1)C(C)C
InChIKey
InChIKey=NMRFPLLDBKYOFT-UHFFFAOYSA-N
Formula
C21H31Cl2NO4
Mass
432.38
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
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Nitrogen mustard compounds Toluenes Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Nitrogen mustard - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl chloride - Alkyl halide - 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