4-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3,3-diol

Systemtic Name: 4-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3,3-diol Openeye Name: 4-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-2-(3-pyridyl)quinuclidine-3,3-diol CAS Name: 4-(3-ethoxy-1-pyrrolidinyl)-2-ethynyl-2-(3-pyridinyl)-1-azabicyclo[2.2.2]octane-3,3-diol IUPAC Name: 4-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3,3-diol Traditional Name: 4-(3-ethoxypyrrolidino)-2-ethynyl-2-(3-pyridyl)quinuclidine-3,3-diol Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(C1)C23CCN(CC2)C(C3(O)O)(C#C)C4=CN=CC=C4

Isomeric SMILES

CCOC1CCN(C1)C23CCN(CC2)C(C3(O)O)(C#C)C4=CN=CC=C4

InChI

InChI=1S/C20H27N3O3/c1-3-19(16-6-5-10-21-14-16)20(24,25)18(8-12-22(19)13-9-18)23-11-7-17(15-23)26-4-2/h1,5-6,10,14,17,24-25H,4,7-9,11-13,15H2,2H3