Compound Identification
SMILES
OC(=O)C(C1CCN(CC1)C(=O)\C=C\C1=CC(Br)=C(F)C=C1)N1CCC(CC1)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=LRYFHIQKHQNRBN-SOFGYWHQSA-N
Formula
C29H31BrFN3O3
Mass
568.487
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
3-alkylindoles Alpha amino acids N-acylpiperidines Styrenes Aralkylamines Bromobenzenes Fluorobenzenes Substituted pyrroles Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Trialkylamines Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - N-acyl-piperidine - Indole or derivatives - Styrene - Halobenzene - Fluorobenzene - Aralkylamine - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Aryl halide - Aryl fluoride - Piperidine - Aryl bromide - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Amine - Carbonyl group - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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