Compound Identification
SMILES
CC1=CC=CC=C1CNC(=O)COC(=O)CCC(=O)C1=CC2=C(OCCCO2)C=C1
InChIKey
InChIKey=PWBQFRSIIMKWEO-UHFFFAOYSA-N
Formula
C23H25NO6
Mass
411.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Gamma-keto acids and derivatives Aryl alkyl ketones Toluenes Fatty acid esters Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Fatty acid ester - Toluene - Fatty acyl - Keto acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available