Compound Identification
SMILES
CC1=C(C)C=C(OCCN(C2CC2)C(=O)C2=C(CC3CNC[C@H]2N3C(=O)OC(C)(C)C(Cl)(Cl)Cl)C2=CC=C(OCCOC3=CC=C(Br)C=C3)C=C2)C=C1
InChIKey
InChIKey=NPYWXOCQHOMADQ-MEXJTYAOSA-N
Formula
C40H45BrCl3N3O6
Mass
850.07
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
Piperazine carboxylic acids o-Xylenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Carbamate esters Tertiary carboxylic acid amides Dialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Piperazine-1-carboxylic acid - Phenoxy compound - O-xylene - Xylene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Carbamic acid ester - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Amine - Alkyl halide - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Alkyl chloride - Organohalogen compound - Organobromide - 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