Compound Identification
SMILES
CC(=O)N1C[C@H]2CC(C3=CC=C(OCCOC4=C(Cl)C=C(C)C(C)=C4)C=C3)=C([C@@H](C1)N2)C(=O)N(CC1=CC=CC=C1Br)C1CC1
InChIKey
InChIKey=UKAURJKPUZHULE-ZORMNXRFSA-N
Formula
C36H39BrClN3O4
Mass
693.08
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
o-Xylenes Phenoxy compounds Phenol ethers 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 - Phenol ether - Xylene - O-xylene - Phenoxy compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl chloride - Benzenoid - 1,4-diazinane - Piperazine - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Ether - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - 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