Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(NC(=O)C1=CC=C(F)C=C1)(NC1=C(C#N)C(CC)=C(C)S1)C(F)(F)F

InChIKey

InChIKey=HRUOSAABYAURNO-UHFFFAOYSA-N

Formula

C20H19F4N3O3S

Mass

457.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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