Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NC(Cl)=C(N1)C(CC1=CC=CC=C1Br)C(O)=O

InChIKey

InChIKey=KEHWEDMHWBXVRY-UHFFFAOYSA-N

Formula

C16H18BrClN2O2

Mass

385.69

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - 2,4,5-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organobromide - Organochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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