Compound Identification
SMILES
OC(=O)C(O)=O.CC(C)NCC(O)COC(CC1=CN=CC=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=AADMPGOJTBNQFG-UHFFFAOYSA-N
Formula
C22H28N2O7
Mass
432.473
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 Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Secondary amine - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Alcohol - 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