Compound Identification
SMILES
COC(=O)N1CC2CC(C3=CC=C(CCCOC4=C(F)C=CC(F)=C4F)C=C3)=C([C@@H](C1)N2)C(=O)N(CC1=CC=CC=C1Cl)C1CC1
InChIKey
InChIKey=URGYSVJWSVQVLF-BXFARTRRSA-N
Formula
C35H35ClF3N3O4
Mass
654.13
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Methylcarbamates Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Piperazine-1-carboxylic acid - Phenoxy compound - Phenol ether - Halobenzene - Alkyl aryl ether - Fluorobenzene - Chlorobenzene - Aryl chloride - 1,4-diazinane - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Piperazine - Aryl halide - Tertiary carboxylic acid amide - Carbamic acid ester - Methylcarbamate - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organochloride - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - 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