Compound Identification
SMILES
CC1C(=O)OC2CC[N+]3(CC(=O)C4=CC=C(Br)C=C4)CC=C(COC(=O)C(C)(O)C1(C)O)C23
InChIKey
InChIKey=YUJALJDZNAUDKX-UHFFFAOYSA-N
Formula
C24H29BrNO7
Mass
523.399
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
Pyrrolizines Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides N-alkylpyrrolidines Dicarboxylic acids and derivatives Tetraalkylammonium salts Tertiary alcohols Pyrrolines Alpha-amino ketones 1,2-diols Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Organic salts Organobromides Amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Pyrrolizine - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Benzenoid - Alpha-aminoketone - Tetraalkylammonium salt - Pyrrolidine - Pyrroline - Quaternary ammonium salt - Tertiary alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Amine - Organic nitrogen compound - Organobromide - Organohalogen compound - Organic cation - 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