Compound Identification
SMILES
CC[N+](C)(CCC(=O)C=CC1=CC=C(Cl)C=C1)CCC(=O)C=CC1=CC=C(Cl)C=C1
InChIKey
InChIKey=DSYYHURPYJLGQZ-UHFFFAOYSA-N
Formula
C25H28Cl2NO2
Mass
445.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Chlorobenzenes Beta-amino ketones Aryl chlorides Tetraalkylammonium salts Enones Acryloyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Beta-aminoketone - Acryloyl-group - Tetraalkylammonium salt - Alpha,beta-unsaturated ketone - Quaternary ammonium salt - Enone - Ketone - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available