Compound Identification
SMILES
CCOC(=O)C([C@@H](C)[C@@](CCC(=O)C1=CC=CC=C1)(C#N)C(N)=O)C(=O)OCC
InChIKey
InChIKey=XODNEULFCHPZLS-SPLOXXLWSA-N
Formula
C21H26N2O6
Mass
402.447
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
Butyrophenones Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Fatty amides Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Primary carboxylic acid amides Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Fatty amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Cyanide - Aromatic homomonocyclic 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