[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 7,7-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]octanoate

Systemtic Name: [(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 7,7-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]octanoate Openeye Name: [(S)-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] 7,7-bis[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]octanoate CAS Name: 7,7-bis[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]octanoic acid [(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methyl] ester IUPAC Name: [(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 7,7-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]octanoate Traditional Name: 7,7-bis[(4S)-4-tert-butyl-2-oxazolin-2-yl]caprylic acid [(S)-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] ester Formula: C42H62N4O5 MolecularWeight: 702.96548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)CCCCCC(C)(C5=NC(CO5)C(C)(C)C)C6=NC(CO6)C(C)(C)C

Isomeric SMILES

CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)CCCCCC(C)(C5=N[C@H](CO5)C(C)(C)C)C6=N[C@H](CO6)C(C)(C)C

InChI

InChI=1S/C42H62N4O5/c1-10-27-24-46-21-18-28(27)22-33(46)37(30-17-20-43-32-16-15-29(48-9)23-31(30)32)51-36(47)14-12-11-13-19-42(8,38-44-34(25-49-38)40(2,3)4)39-45-35(26-50-39)41(5,6)7/h15-17,20,23,27-28,33-35,37H,10-14,18-19,21-22,24-26H2,1-9H3/t27-,28-,33+,34+,35+,37-/m0/s1