[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 2-[[2-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]carbonylphenyl]diselanyl]benzoate

Systemtic Name: [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 2-[[2-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]carbonylphenyl]diselanyl]benzoate Openeye Name: [(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methyl] 2-[[2-[(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methoxy]carbonylphenyl]diselanyl]benzoate CAS Name: 2-[[2-[[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methoxy]-oxomethyl]phenyl]diselanyl]benzoic acid [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methyl] ester IUPAC Name: [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 2-[[2-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]carbonylphenyl]diselanyl]benzoate Traditional Name: 2-[[2-[(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methoxy]carbonylphenyl]diselanyl]benzoic acid [(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methyl] ester Formula: C54H54N4O6Se2 MolecularWeight: 1012.94976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OC(=O)C5=CC=CC=C5[Se][Se]C6=CC=CC=C6C(=O)OC(C7CC8CCN7CC8C=C)C9=C1C=C(C=CC1=NC=C9)OC

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)OC(=O)C5=CC=CC=C5[Se][Se]C6=CC=CC=C6C(=O)O[C@@H]([C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)C9=C1C=C(C=CC1=NC=C9)OC

InChI

InChI=1S/C54H54N4O6Se2/c1-5-33-31-57-25-21-35(33)27-47(57)51(39-19-23-55-45-17-15-37(61-3)29-43(39)45)63-53(59)41-11-7-9-13-49(41)65-66-50-14-10-8-12-42(50)54(60)64-52(48-28-36-22-26-58(48)32-34(36)6-2)40-20-24-56-46-18-16-38(62-4)30-44(40)46/h5-20,23-24,29-30,33-36,47-48,51-52H,1-2,21-22,25-28,31-32H2,3-4H3/t33-,34-,35-,36-,47-,48-,51+,52+/m0/s1