Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C(=O)NCC2=CC3=C(C=C2)C(Br)=C(OC(CC2=CC=CC=C2)C(O)=O)C=C3)C2=CC=CC=C2O1

InChIKey

InChIKey=STCQUJDRQJWMRE-UHFFFAOYSA-N

Formula

C31H26BrNO5

Mass

572.455

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Phenoxyacetate - Naphthalene - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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