Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(NC(=O)C[NH+]2CCN(CC2)C2=CC=CC=C2OC)=C(C)C=C1

InChIKey

InChIKey=RWUUCPBNEHJXTN-UHFFFAOYSA-O

Formula

C22H28N3O4

Mass

398.482

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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

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Benzoate ester - N-piperazineacetamide - Aminophenyl ether - Anilide - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Toluene - Alkyl aryl ether - N-alkylpiperazine - Piperazine - 1,4-diazinane - Quaternary ammonium salt - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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