Compound Identification
SMILES
FC1=C(F)C(OCCCC2=CC=C(C=C2)C2=C([C@H]3CN(C[C@@H](C2)N3)C(=O)CCCC(=O)N2CCOCC2)C(=O)N(CC2=CC=CC=C2Cl)C2CC2)=C(F)C=C1
InChIKey
InChIKey=IUSDCSQKFSVQIS-JRYPVQGPSA-N
Formula
C42H46ClF3N4O5
Mass
779.3
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 Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Piperazines Aryl chlorides Morpholines Aryl fluorides Tertiary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Morpholine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Aryl halide - Oxazinane - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Secondary amine - Ether - Organic nitrogen compound - Organohalogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - 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