Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(OCC(O)COC2=C(Cl)C=C(C=C2)C#N)C=CC(C(C)=O)=C1O

InChIKey

InChIKey=NLRZGTWWMGIVAT-UHFFFAOYSA-N

Formula

C21H22ClNO5

Mass

403.86

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Acetophenone - Phenylpropane - Benzonitrile - Benzoyl - Phenol ether - Phenoxy compound - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Alkyl aryl ether - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Secondary alcohol - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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

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