Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1C2CCC(CC1C1=CC=C(Cl)C=C1)N2C\C=C/I

InChIKey

InChIKey=NHXMCNVSIJECMD-MBXJOHMKSA-N

Formula

C18H21ClINO2

Mass

445.73

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Tropane alkaloids

Subclass

Phenyltropanes

Intermediate Tree Nodes

Not available

Direct Parent

Phenyltropanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyltropane - Phenylpiperidine - Piperidinecarboxylic acid - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Methyl ester - Pyrrolidine - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Iodoalkene - Haloalkene - Carboxylic acid derivative - Organoheterocyclic compound - Vinyl iodide - Monocarboxylic acid or derivatives - Vinyl halide - Organohalogen compound - Carbonyl group - Amine - Organic oxide - Organochloride - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.

External Descriptors

Not available

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