2-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-3-(3-pyridyl)quinuclidin-3-ol Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CCCCO5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C5=CCCCO5

InChI

InChI=1S/C26H28N2O2/c1-2-25(23-12-6-7-18-30-23)26(29,22-11-8-15-27-20-22)24(13-16-28(25)17-14-24)19-21-9-4-3-5-10-21/h1,3-5,8-12,15,20,29H,6-7,13-14,16-19H2