Compound Identification
SMILES
COC(=O)C(C1CC1)(C(=O)C1=CC=CC=C1)C1(CC1)C1=C(ONC1=O)C1=CC=CC=C1
InChIKey
InChIKey=NRUAOUFVWVCSMM-UHFFFAOYSA-N
Formula
C25H23NO5
Mass
417.461
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 4-cyclopropylisoxazoles Fatty acid esters Beta-keto acids and derivatives Methyl esters Heteroaromatic compounds Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - 4-cyclopropylisoxazole - Cyclopropylisoxazole - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Keto acid - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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