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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

CCOC1CN(C1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

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