4-(3-cyclopropyloxypyrrolidin-1-yl)-2-ethynyl-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3,3-diol

Systemtic Name: 4-(3-cyclopropyloxypyrrolidin-1-yl)-2-ethynyl-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3,3-diol Openeye Name: 4-[3-(cyclopropoxy)pyrrolidin-1-yl]-2-ethynyl-2-(3-pyridyl)quinuclidine-3,3-diol CAS Name: 4-(3-cyclopropyloxy-1-pyrrolidinyl)-2-ethynyl-2-(3-pyridinyl)-1-azabicyclo[2.2.2]octane-3,3-diol IUPAC Name: 4-(3-cyclopropyloxypyrrolidin-1-yl)-2-ethynyl-2-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3,3-diol Traditional Name: 4-[3-(cyclopropoxy)pyrrolidino]-2-ethynyl-2-(3-pyridyl)quinuclidine-3,3-diol Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2(CCN1CC2)N3CCC(C3)OC4CC4)(O)O)C5=CN=CC=C5

Isomeric SMILES

C#CC1(C(C2(CCN1CC2)N3CCC(C3)OC4CC4)(O)O)C5=CN=CC=C5

InChI

InChI=1S/C21H27N3O3/c1-2-20(16-4-3-10-22-14-16)21(25,26)19(8-12-23(20)13-9-19)24-11-7-18(15-24)27-17-5-6-17/h1,3-4,10,14,17-18,25-26H,5-9,11-13,15H2