Compound Identification
SMILES
Br.COC1=C(OC)C(F)=C2C(=N)N(CC(=O)C3=CC(=C(OCCCC(F)C(O)=O)C(=C3)N3CCCC3)C(C)(C)C)CC2=C1
InChIKey
InChIKey=RQXUEUBMTYIHON-UHFFFAOYSA-N
Formula
C31H40BrF2N3O6
Mass
668.577
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
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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
Phenylpyrrolidines Aminophenyl ethers Phenylpropanes Isoindoles Isoindolines Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Phenoxy compounds Alkyl aryl ethers Halogenated fatty acids Imidolactams Aryl fluorides Alpha-halocarboxylic acids Pyrroles Amino acids Carboximidamides Carboxamidines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Hydrocarbon derivatives Organic oxides Hydrobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrrolidine - Isoindole - Isoindole or derivatives - Aminophenyl ether - Isoindoline - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Anisole - Aniline or substituted anilines - Halogenated fatty acid - Alkyl aryl ether - Benzenoid - Aryl halide - Imidolactam - Aryl fluoride - Monocyclic benzene moiety - Fatty acyl - Pyrrolidine - Pyrrole - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Tertiary amine - Amino acid - Amino acid or derivatives - Amidine - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Organic oxide - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl fluoride - Organohalogen compound - Hydrobromide - 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