Compound Identification
SMILES
CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1ccccc1Br)C1CC1)c1ccc(OCCOc2ccc(Cl)cc2C)cc1
InChIKey
InChIKey=ZKZYHDRCUNAFKS-WXGMZPBLSA-N
Formula
C35H37BrClN3O4
Mass
679.05
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
Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Chlorobenzenes Bromobenzenes Piperazines Aryl bromides Aryl chlorides Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Bromobenzene - Aryl bromide - Aryl chloride - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Piperazine - Aryl halide - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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