Compound Identification
SMILES
COC(CC(=O)C1=CC=C(C=C1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
InChIKey
InChIKey=WVBBATQVSFCJAV-UHFFFAOYSA-N
Formula
C22H31N3O5
Mass
417.506
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 N-acylpiperidines Benzoyl derivatives Aryl alkyl ketones Tertiary carboxylic acid amides Tertiary amines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - N-acyl-piperidine - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Amidine - Carboxylic acid amidine - Carboximidamide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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