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

Systemtic Name: 6-(2-ethoxypropoxy)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(2-ethoxypropoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(2-ethoxypropoxy)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(2-ethoxypropoxy)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(2-ethoxypropoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)COC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

Isomeric SMILES

CCOC(C)COC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

InChI

InChI=1S/C26H32N2O3/c1-4-25(17-21-10-7-6-8-11-21)26(29,23-12-9-14-27-18-23)22-13-15-28(25)24(16-22)31-19-20(3)30-5-2/h1,6-12,14,18,20,22,24,29H,5,13,15-17,19H2,2-3H3