[(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-oxidanylidene-3-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-oxidanylidene-3-phenyl-pyrrolidine-3-carboxylate Openeye Name: [(3S)-quinuclidin-3-yl] 2-oxo-3-phenyl-pyrrolidine-3-carboxylate CAS Name: 2-oxo-3-phenyl-3-pyrrolidinecarboxylic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] 2-oxo-3-phenylpyrrolidine-3-carboxylate Traditional Name: 2-keto-3-phenyl-pyrrolidine-3-carboxylic acid [(3S)-quinuclidin-3-yl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C3(CCNC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)C3(CCNC3=O)C4=CC=CC=C4

InChI

InChI=1S/C18H22N2O3/c21-16-18(8-9-19-16,14-4-2-1-3-5-14)17(22)23-15-12-20-10-6-13(15)7-11-20/h1-5,13,15H,6-12H2,(H,19,21)/t15-,18?/m1/s1