Compound Identification
SMILES
CC1=NC(C)=C(OC2=CC(NC3=CC=CC(=C3)C(=O)NCC(N)=O)=NC=C2)C=C1
InChIKey
InChIKey=QTDXFHNCCYGDEV-UHFFFAOYSA-N
Formula
C21H21N5O3
Mass
391.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
N-acyl-alpha amino acids and derivatives Diarylethers Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Methylpyridines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Diaryl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Methylpyridine - Aminopyridine - Imidolactam - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen 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