[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 5-(oxan-4-yl)-1H-indazole-3-carboxylate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 5-(oxan-4-yl)-1H-indazole-3-carboxylate Openeye Name: [(3S)-quinuclidin-3-yl] 5-tetrahydropyran-4-yl-1H-indazole-3-carboxylate CAS Name: 5-(4-oxanyl)-1H-indazole-3-carboxylic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 5-(oxan-4-yl)-1H-indazole-3-carboxylate Traditional Name: 5-tetrahydropyran-4-yl-1H-indazole-3-carboxylic acid [(3S)-quinuclidin-3-yl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C3=NNC4=C3C=C(C=C4)C5CCOCC5

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)C3=NNC4=C3C=C(C=C4)C5CCOCC5

InChI

InChI=1S/C20H25N3O3/c24-20(26-18-12-23-7-3-14(18)4-8-23)19-16-11-15(1-2-17(16)21-22-19)13-5-9-25-10-6-13/h1-2,11,13-14,18H,3-10,12H2,(H,21,22)/t18-/m1/s1