Compound Identification
SMILES
COC1=C(OCCN(C)C(C)(C)CO)C=C2N(CCC2=C1)C(=O)\C=C\C1=CC=CC=C1Cl
InChIKey
InChIKey=RPOQVCZGGGCJOA-MDZDMXLPSA-N
Formula
C25H31ClN2O4
Mass
458.98
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
Indoles and derivatives Styrenes Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indole or derivatives - Anisole - Phenol ether - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Azacycle - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Alcohol - Organohalogen compound - Organic oxygen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Primary alcohol - Aromatic heteropolycyclic 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