Compound Identification
SMILES
CCCCOC(=O)COC1=C(OCC(O)=O)C=C(C=C1)C(=O)CCN1CCN(CC1)C1=CC=NC=C1
InChIKey
InChIKey=MRAFPGAXTZCYJE-UHFFFAOYSA-N
Formula
C26H33N3O7
Mass
499.564
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
Pyridinylpiperazines N-arylpiperazines Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminopyridines and derivatives N-alkylpiperazines Beta-amino ketones Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Trialkylamines Amino acids Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Pyridinylpiperazine - N-arylpiperazine - Phenoxyacetate - Phenoxy compound - Tertiary aliphatic/aromatic amine - Phenol ether - Aryl alkyl ketone - Dialkylarylamine - Benzoyl - Alkyl aryl ether - Aminopyridine - N-alkylpiperazine - Benzenoid - Dicarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Beta-aminoketone - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen 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