6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(3,4-dimethoxy-1-pyrrolidinyl)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(3,4-dimethoxypyrrolidino)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1OC)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

COC1CN(CC1OC)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C27H33N3O3/c1-4-26(16-20-9-6-5-7-10-20)27(31,22-11-8-13-28-17-22)21-12-14-30(26)25(15-21)29-18-23(32-2)24(19-29)33-3/h1,5-11,13,17,21,23-25,31H,12,14-16,18-19H2,2-3H3