Compound Identification
SMILES
OC1=C([C@@H](N(CC2=CC=CC=C2)C1=O)C1=CC=CC=C1Cl)C(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=AYRZFHJNKMIXRS-QDEBQFNMSA-N
Formula
C26H20ClNO3
Mass
429.9
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
Phenylpyrrolines Styrenes Chlorobenzenes Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Acryloyl compounds Enones Lactams Ketones Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 2-phenylpyrroline - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrroline - Pyrrole - Vinylogous acid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Carboxamide group - Lactam - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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