Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CCN(C1)C(=O)C1=C(OCC(=O)N2[C@H]3CC[C@@H]2CC(C3)OC2=CC=C(F)C=C2)C=CC(Cl)=C1

InChIKey

InChIKey=SJEOIOXXYXVQCL-DOFBDYGYSA-N

Formula

C26H28ClFN2O5

Mass

502.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - N-acyl-piperidine - Tropane alkaloid - Benzamide - N-acylpyrrolidine - Phenol ether - Phenoxy compound - Benzoyl - Halobenzene - Chlorobenzene - Alkyl aryl ether - Fluorobenzene - Piperidine - Aryl chloride - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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