Compound Identification
SMILES
OC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CC=C(NC2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=KOKKXFUTTVLTGZ-ZHZULCJRSA-N
Formula
C22H17ClN2O3
Mass
392.84
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
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Cinnamic acids Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Primary aromatic amines Aryl chlorides Secondary carboxylic acid amides Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid - Alpha-amino acid or derivatives - Aniline or substituted anilines - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available