Compound Identification
SMILES
COC1=CC=CC(CN(C2CC2)C(=O)C2=C(C[C@H]3CNC[C@H]2N3)C2=CC=C(CN(C)CC3=CC=CC=C3Cl)C=C2)=C1C
InChIKey
InChIKey=OIPXKRIDPJLWNJ-GMCHKSTQSA-N
Formula
C35H41ClN4O2
Mass
585.19
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
Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Toluenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Piperazines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Phenylmethylamine - Methoxybenzene - Benzylamine - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Toluene - Aryl chloride - Benzenoid - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Secondary amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - 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