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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-22(28)18-30-23-15-20-12-14-27(23)24(4-2,16-19-9-6-5-7-10-19)25(20,29)21-11-8-13-26-17-21/h2-3,5-11,13,17,20,22-23,28-29H,1,12,14-16,18H2