Compound Identification
SMILES
OC(=O)CCC(=O)C1=CC=C(C=C1)N1CCC2(CC1)OCCO2
InChIKey
InChIKey=JSPRFFALMLHJEE-UHFFFAOYSA-N
Formula
C17H21NO5
Mass
319.357
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
Phenylpiperidines Butyrophenones Azaspirodecane derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Gamma-keto acids and derivatives Ketals 1,3-dioxolanes Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperidine - Butyrophenone - Azaspirodecane - Benzoyl - Gamma-keto acid - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aniline or substituted anilines - Dialkylarylamine - Ketal - Monocyclic benzene moiety - Keto acid - Piperidine - Benzenoid - Meta-dioxolane - Tertiary amine - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Amine - Aldehyde - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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