Compound Identification
SMILES
CCCCC1=CC=C(C=C1)C(=O)N(CC(=O)N1C(C2=CC=CN2C2=CC=CC=C12)C1=CC=C(Cl)C=C1)C1CC1
InChIKey
InChIKey=PSCQAUOSMQEHBC-UHFFFAOYSA-N
Formula
C33H32ClN3O2
Mass
538.09
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
Quinoxalines Alpha amino acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Quinoxaline - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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