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
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
N-arylpiperazines Phenylpiperazines Alpha amino acid amides Benzoic acid esters N-piperazineacetamides Anilides Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Benzoyl derivatives N-arylamides Dialkylarylamines Methoxybenzenes Alkyl aryl ethers N-alkylpiperazines Toluenes Quaternary ammonium salts Methyl esters Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
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