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

Systemtic Name: 2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-6-(pyridin-2-ylmethoxy)-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-(2-pyridylmethoxy)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-6-(2-pyridinylmethoxy)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-3-pyridin-3-yl-6-(pyridin-2-ylmethoxy)-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-(2-pyridylmethoxy)quinuclidin-3-ol Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)OCC3=CC=CC=N3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)OCC3=CC=CC=N3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-2-26(18-21-9-4-3-5-10-21)27(31,23-11-8-14-28-19-23)22-13-16-30(26)25(17-22)32-20-24-12-6-7-15-29-24/h1,3-12,14-15,19,22,25,31H,13,16-18,20H2