Compound Identification
SMILES
COC(=O)CCC1=CNC(CNC(=O)[C@@H](N)C(=O)C2=CC=CC=C2)=C1CC(=O)OC
InChIKey
InChIKey=AISFFIJRUTWXCT-IBGZPJMESA-N
Formula
C21H25N3O6
Mass
415.446
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Alpha amino acid amides Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Substituted pyrroles 1,3-dicarbonyl compounds Fatty amides Dicarboxylic acids and derivatives Methyl esters Alpha-amino ketones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid amide - Alpha-amino acid or derivatives - Aryl alkyl ketone - Benzoyl - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Substituted pyrrole - Alpha-aminoketone - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxamide group - Amino acid or derivatives - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Primary amine - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available