Compound Identification
SMILES
CCOC(=O)CCNC(=O)N1[C@H]2CNC[C@@H]1C(C(=O)N(CC1=CC=CC=C1Cl)C1CC1)=C(C2)C1=CC=C(CCCOC2=C(F)C=CC(F)=C2F)C=C1
InChIKey
InChIKey=PKTXHPSRWRPBGS-LHXZUMEBSA-N
Formula
C39H42ClF3N4O5
Mass
739.23
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 carboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Ureas Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Piperazine-1-carboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Urea - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organofluoride - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen 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