Compound Identification
SMILES
CCOC(=O)C1=CC(NC(=O)OCC=C)=CC=C1.ClC1=NC=CC(CC(=O)C2=CC(NC(=O)OCC=C)=CC=C2)=N1
InChIKey
InChIKey=UZYUUIMYXXSUBB-UHFFFAOYSA-N
Formula
C29H29ClN4O7
Mass
581.02
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
Phenylcarbamic acid esters Benzoic acid esters Benzoyl derivatives Aryl alkyl ketones 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Carbamate esters Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Phenylcarbamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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