Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1N1C[C@@H](CC1=O)C(=O)OCC(=O)C1=CC(Cl)=C(OC)C=C1

InChIKey

InChIKey=CWJJRHORFAYBFQ-CQSZACIVSA-N

Formula

C21H20ClNO6

Mass

417.84

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - 1-phenylpyrrolidine - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Oxoproline - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Aryl alkyl ketone - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alpha-acyloxy ketone - Benzenoid - Aryl chloride - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Ether - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - 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

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