Compound Identification
SMILES
CCOC1=C(OCC(=O)OC)C=CC(C=NNC(=O)C(C)NC(=O)C2=CC=CC=C2Br)=C1
InChIKey
InChIKey=UWKTXBFDLXRBFS-UHFFFAOYSA-N
Formula
C22H24BrN3O6
Mass
506.353
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 Phenoxyacetic acid derivatives Alanine and derivatives 2-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Phenoxyacetate - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Halobenzene - Alkyl aryl ether - Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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