Structure Information
Structure

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

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 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

Previous Back Next