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

Systemtic Name: 2-ethynyl-6-(oxolan-3-yloxy)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-tetrahydrofuran-3-yloxy-quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-oxolanyloxy)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(oxolan-3-yloxy)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-3-(3-pyridyl)-6-tetrahydrofuran-3-yloxy-quinuclidin-3-ol Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)OC3CCOC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)OC3CCOC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O3/c1-2-24(16-19-7-4-3-5-8-19)25(28,21-9-6-12-26-17-21)20-10-13-27(24)23(15-20)30-22-11-14-29-18-22/h1,3-9,12,17,20,22-23,28H,10-11,13-16,18H2