Compound Identification
SMILES
COC1=CC=C(C=C1)N1CC[NH+](CC(=O)C2=C(O)C(C)=C(O)C=C2)CC1
InChIKey
InChIKey=UXZWAKVNNYTCPT-UHFFFAOYSA-O
Formula
C20H25N2O4
Mass
357.429
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
N-arylpiperazines Phenylpiperazines Aminophenyl ethers Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Methoxybenzenes Ortho cresols Phenoxy compounds Resorcinols Alkyl aryl ethers N-alkylpiperazines Toluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Alpha-amino ketones Quaternary ammonium salts Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Anisole - Benzoyl - O-cresol - Phenol ether - Resorcinol - Tertiary aliphatic/aromatic amine - Phenoxy compound - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Alpha-aminoketone - Vinylogous acid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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