Compound Identification
SMILES
CC1=C(CCNC(=O)C(NC(=O)C2=CC(Br)=CC=C2)=CC2=CC=CO2)C2=CC=CC=C2N1
InChIKey
InChIKey=GUDYLQXLIDCUNN-UHFFFAOYSA-N
Formula
C25H22BrN3O3
Mass
492.373
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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 Alpha amino acid amides 3-alkylindoles 3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Substituted pyrroles Aryl bromides Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Benzoyl - Bromobenzene - Halobenzene - Substituted pyrrole - Aryl bromide - Aryl halide - Furan - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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