Compound Identification
SMILES
OC(CN1CCC2(CNC3=C2C(Br)=CC=C3)CC1)C1CCN(CC1)C(=O)\C=C\C1=CC(F)=CC(F)=C1
InChIKey
InChIKey=IHWJBZVMANPLAE-SNAWJCMRSA-N
Formula
C28H32BrF2N3O2
Mass
560.484
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
Indolines N-acylpiperidines Styrenes Aralkylamines Fluorobenzenes Secondary alkylarylamines Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - N-acyl-piperidine - Dihydroindole - Indole or derivatives - Styrene - Secondary aliphatic/aromatic amine - Fluorobenzene - Aralkylamine - Halobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Piperidine - Aryl fluoride - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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