Compound Identification
SMILES
OC(=O)C(O)=O.CC(=O)C1=CC=C(OCC2=CC=C(CN3CCCC3)C=C2)C=C1
InChIKey
InChIKey=BELJCUQQCDVGKE-UHFFFAOYSA-N
Formula
C22H25NO6
Mass
399.443
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
Acetophenones Phenylmethylamines Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Dicarboxylic acids and derivatives Trialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Benzylamine - Aryl alkyl ketone - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Dicarboxylic acid or derivatives - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen 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