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

Systemtic Name: 6-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(3-ethoxy-1-pyrrolidinyl)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(3-ethoxypyrrolidin-1-yl)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(3-ethoxypyrrolidino)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

CCOC1CCN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C27H33N3O2/c1-3-26(18-21-9-6-5-7-10-21)27(31,23-11-8-14-28-19-23)22-12-16-30(26)25(17-22)29-15-13-24(20-29)32-4-2/h1,5-11,14,19,22,24-25,31H,4,12-13,15-18,20H2,2H3