Compound Identification
SMILES
CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=GPKRAZOEGPJBAU-AWEZNQCLSA-N
Formula
C20H19NO3
Mass
321.376
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
Monocyclic monoterpenoids Benzoic acid esters Aromatic monoterpenoids Phenylpropanes Benzoyl derivatives Benzonitriles Aryl alkyl ketones Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - P-cymene - Aromatic monoterpenoid - Benzoate ester - Monocyclic monoterpenoid - Monoterpenoid - Phenylpropane - Benzoic acid or derivatives - Aryl alkyl ketone - Benzonitrile - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organic nitrogen compound - 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