Compound Identification
SMILES
BrC1=CC=CC(\C=C\C(=O)N2CCC(CC2)NC(=O)C2=CC=CC=C2)=C1
InChIKey
InChIKey=PQLFCOCTCHPDHK-MDZDMXLPSA-N
Formula
C21H21BrN2O2
Mass
413.315
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
N-acylpiperidines Benzamides Styrenes Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Aromatic heteromonocyclic 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