2-ethynyl-6-(3-oxidanyl-4-propan-2-yloxy-pyrrolidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-6-(3-oxidanyl-4-propan-2-yloxy-pyrrolidin-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-hydroxy-4-isopropoxy-pyrrolidin-1-yl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-hydroxy-4-propan-2-yloxy-1-pyrrolidinyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-hydroxy-4-isopropoxy-pyrrolidino)-3-(3-pyridyl)quinuclidin-3-ol Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1CN(CC1O)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

CC(C)OC1CN(CC1O)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C28H35N3O3/c1-4-27(16-21-9-6-5-7-10-21)28(33,23-11-8-13-29-17-23)22-12-14-31(27)26(15-22)30-18-24(32)25(19-30)34-20(2)3/h1,5-11,13,17,20,22,24-26,32-33H,12,14-16,18-19H2,2-3H3