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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC=C(C=C1)C#CC)N2C(=O)OCC(Cl)(Cl)Cl

InChIKey

InChIKey=VIAOJNZTRONXFH-MLHJIOFPSA-N

Formula

C21H22Cl3NO4

Mass

458.76

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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 - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Piperidine - Benzenoid - Carbamic acid ester - Pyrrolidine - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alkyl chloride - Alkyl halide - 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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