Compound Identification
SMILES
CN(CCCN1C(C2=CC(Cl)=CC=C2)C(C(O)=O)=C(C)N=C1C)C(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=HHDBXMNOYBCJBZ-BUHFOSPRSA-N
Formula
C26H28ClN3O3
Mass
465.98
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
Hydropyrimidine carboxylic acids and derivatives Styrenes Chlorobenzenes Aryl chlorides Imidolactams Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Amines Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Hydropyrimidine carboxylic acid derivative - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - Benzenoid - 1,6-dihydropyrimidine - Tertiary carboxylic acid amide - Carboxamide group - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Amine - Organic oxide - Organohalogen compound - 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