Compound Identification
SMILES
CC1=NOC(C1)(C(OCC1=CC=CC=C1C)C1=CC(Cl)=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=CTLVWOYFMFIYGU-UHFFFAOYSA-N
Formula
C20H19Cl2NO4
Mass
408.28
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
Benzylethers Dichlorobenzenes Toluenes Aryl chlorides Isoxazolines Oxime ethers Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzylether - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Isoxazoline - Oxime ether - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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