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

Systemtic Name: 6-(2-ethoxyethoxy)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-6-(2-ethoxyethoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 6-(2-ethoxyethoxy)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-6-(2-ethoxyethoxy)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-6-(2-ethoxyethoxy)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

Isomeric SMILES

CCOCCOC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

InChI

InChI=1S/C25H30N2O3/c1-3-24(18-20-9-6-5-7-10-20)25(28,22-11-8-13-26-19-22)21-12-14-27(24)23(17-21)30-16-15-29-4-2/h1,5-11,13,19,21,23,28H,4,12,14-18H2,2H3