Structure Information
Structure

Compound Identification

SMILES

CN(CCC1=CC=CC=C1Cl)C(=O)C1=C(CCNC1)C1=CC=C(CCCOC2=C(Br)C=CC(F)=C2)C=C1

InChIKey

InChIKey=CHQGYTBWSXHFMO-UHFFFAOYSA-N

Formula

C30H31BrClFN2O2

Mass

585.94

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Aryl bromide - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Amine - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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

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