Compound Identification
SMILES
CCOC(=O)COC1=CC=C(C=C1)C(=O)CN1CCC(CC1=O)C1CCN(CC1)C(=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=WHKJIDKXBBRANZ-UHFFFAOYSA-N
Formula
C29H40N2O9
Mass
560.644
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
-
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
Phenoxyacetic acid derivatives Piperidinecarboxylic acids Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Delta lactams Alkyl aryl ethers Piperidinones Dicarboxylic acids and derivatives Carbamate esters Tertiary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxyacetate - Piperidinecarboxylic acid - Benzoyl - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Delta-lactam - Piperidinone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Dicarboxylic acid or derivatives - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aldehyde - 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