Structure Information
Structure

Compound Identification

SMILES

COC1=C(O[C@@H](C)C(O)=O)C=CC(\C=C(\C#N)C2=NC3=CC=CC=C3N2)=C1

InChIKey

InChIKey=MTKWGDDERGJTLU-CJAAZZPWSA-N

Formula

C20H17N3O4

Mass

363.373

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

2-phenoxypropionic acids

Intermediate Tree Nodes

Not available

Direct Parent

2-phenoxypropionic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenoxypropionic acid - Phenoxyacetate - Benzimidazole - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Heteroaromatic compound - Imidazole - Azole - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Ether - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.

External Descriptors

Not available

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