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

Systemtic Name: 6-(1,3-dioxolan-2-ylmethoxy)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(1,3-dioxolan-2-ylmethoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(1,3-dioxolan-2-ylmethoxy)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(1,3-dioxolan-2-ylmethoxy)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(1,3-dioxolan-2-ylmethoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)OCC3OCCO3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)OCC3OCCO3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O4/c1-2-24(16-19-7-4-3-5-8-19)25(28,21-9-6-11-26-17-21)20-10-12-27(24)22(15-20)31-18-23-29-13-14-30-23/h1,3-9,11,17,20,22-23,28H,10,12-16,18H2