Compound Identification
SMILES
COC(=O)C1=CC=C(NC(=O)CC[NH+]2CCN(CC2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=NZSVTFGDGVTNKF-UHFFFAOYSA-O
Formula
C21H26N3O3
Mass
368.456
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
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
Phenylpiperazines N-arylpiperazines Beta amino acids and derivatives Benzoic acid esters Anilides Aniline and substituted anilines Benzoyl derivatives N-arylamides Dialkylarylamines N-alkylpiperazines Quaternary ammonium salts Methyl esters Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phenylpiperazine - N-arylpiperazine - Beta amino acid or derivatives - Benzoate ester - Anilide - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - Piperazine - 1,4-diazinane - Quaternary ammonium salt - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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