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

Systemtic Name: 2-ethynyl-6-(3-fluoranylpropoxy)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(3-fluoropropoxy)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(3-fluoropropoxy)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(3-fluoropropoxy)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(3-fluoropropoxy)-3-(3-pyridyl)quinuclidin-3-ol Formula: C24H27FN2O2 MolecularWeight: 394.481783

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)OCCCF)(C3=CN=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)OCCCF)(C3=CN=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN2O2/c1-2-23(17-19-8-4-3-5-9-19)24(28,21-10-6-13-26-18-21)20-11-14-27(23)22(16-20)29-15-7-12-25/h1,3-6,8-10,13,18,20,22,28H,7,11-12,14-17H2