Structure Information
Structure

Compound Identification

SMILES

CCCCCN(CC(=O)N(CCCC)CC1=CC=CN1CC1=CC=C(Br)C=C1)C(=O)C1=CC(OC)=CC=C1

InChIKey

InChIKey=CTQDCQCHUTYZJU-UHFFFAOYSA-N

Formula

C31H40BrN3O3

Mass

582.583

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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 - Alpha-amino acid or derivatives - Phenol ether - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - Bromobenzene - Alkyl aryl ether - Substituted pyrrole - Aryl halide - Aryl bromide - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - 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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