Structure Information
Structure

Compound Identification

SMILES

COC1=NC=C2[C@@H]3[C@H]4CC[C@@H]([C@@H]3CCC2=C1)N4C(=O)OC(C)(C)C

InChIKey

InChIKey=YBVYERHQAMJDHG-MKVSYHDVSA-N

Formula

C19H26N2O3

Mass

330.428

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Epibatidine analogues

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Epibatidine analogues

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epibatidine-skeleton - Isoindoline - Isoindole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Carbamic acid ester - Pyrrolidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.

External Descriptors

Not available

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