Compound Identification
SMILES
CC(NC(=O)C1=CC=CC=C1Cl)C(=O)OCC(=O)N1CC2(C)CC1CC(C)(C)C2
InChIKey
InChIKey=OQLGBUHRKVBNNX-UHFFFAOYSA-N
Formula
C22H29ClN2O4
Mass
420.93
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alanine and derivatives 2-halobenzoic acids and derivatives N-acylpyrrolidines Benzoyl derivatives Chlorobenzenes Azepanes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - N-acylpyrrolidine - Benzoyl - Azepane - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - 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