Compound Identification
SMILES
O[C@@H](COC1=CC=CC=C1)CN1CCN(CC1)C(=O)\C=C/C1=CC=CC=C1Cl
InChIKey
InChIKey=WQARXTUMVAKULI-OEIFXAAASA-N
Formula
C22H25ClN2O3
Mass
400.9
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
Phenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers Chlorobenzenes N-alkylpiperazines Aryl chlorides Tertiary carboxylic acid amides Amino acids and derivatives 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Styrene - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - N-alkylpiperazine - Aryl chloride - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Piperazine - Tertiary carboxylic acid amide - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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