Structure Information
Structure

Compound Identification

SMILES

COCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C12)CC1=CC=C(F)C=C1)C(=O)C1=CC(Br)=CC=C1

InChIKey

InChIKey=NWKDCHSZDNBJMH-UHFFFAOYSA-N

Formula

C30H31BrFN3O3

Mass

580.498

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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 heteropolycyclic compounds

Substituents

Hippuric acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Benzoyl - Halobenzene - Fluorobenzene - Bromobenzene - Substituted pyrrole - Aryl fluoride - Aryl bromide - Aryl halide - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic 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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