Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next