Structure Information
Structure

Compound Identification

SMILES

Cl.ClC1=CC2=C(O[C@H]3CCCC[C@@H]23)C(=C1)C(=O)N[C@@H]1CN2CCC1CC2

InChIKey

InChIKey=SWKCZQJSIALRRH-JMOFPMDRSA-N

Formula

C20H26Cl2N2O2

Mass

397.34

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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 - Coumaran - Quinuclidine - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic oxide - 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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