2-ethynyl-6-(3-methoxypyrrolidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-6-(3-methoxypyrrolidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-methoxypyrrolidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-methoxy-1-pyrrolidinyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-methoxypyrrolidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-methoxypyrrolidino)-3-(3-pyridyl)quinuclidin-3-ol Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

COC1CCN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C26H31N3O2/c1-3-25(17-20-8-5-4-6-9-20)26(30,22-10-7-13-27-18-22)21-11-15-29(25)24(16-21)28-14-12-23(19-28)31-2/h1,4-10,13,18,21,23-24,30H,11-12,14-17,19H2,2H3