[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (4S)-4-oxidanyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] (4S)-4-oxidanyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(3S)-quinuclidin-3-yl] (4S)-4-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (4S)-4-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] (4S)-4-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (4S)-4-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3S)-quinuclidin-3-yl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CC(C4=CC=CC=C4C3C5=CC=CC=C5)O

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)N3C[C@H](C4=CC=CC=C4C3C5=CC=CC=C5)O

InChI

InChI=1S/C23H26N2O3/c26-20-14-25(23(27)28-21-15-24-12-10-16(21)11-13-24)22(17-6-2-1-3-7-17)19-9-5-4-8-18(19)20/h1-9,16,20-22,26H,10-15H2/t20-,21-,22?/m1/s1