[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-7-fluoranyl-2-oxidanyl-2-phenyl-heptanoate

Systemtic Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-7-fluoranyl-2-oxidanyl-2-phenyl-heptanoate Openeye Name: [(3S)-quinuclidin-3-yl] (2S)-7-fluoranyl-2-hydroxy-2-phenyl-heptanoate CAS Name: (2S)-7-fluoranyl-2-hydroxy-2-phenylheptanoic acid [(3S)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-7-fluoranyl-2-hydroxy-2-phenylheptanoate Traditional Name: (2S)-7-fluoranyl-2-hydroxy-2-phenyl-enanthic acid [(3S)-quinuclidin-3-yl] ester Formula: C20H28FNO3 MolecularWeight: 348.442158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CCCCCF)(C3=CC=CC=C3)O

Isomeric SMILES

C1CN2CCC1[C@@H](C2)OC(=O)[C@](CCCCC[18F])(C3=CC=CC=C3)O

InChI

InChI=1S/C20H28FNO3/c21-12-6-2-5-11-20(24,17-7-3-1-4-8-17)19(23)25-18-15-22-13-9-16(18)10-14-22/h1,3-4,7-8,16,18,24H,2,5-6,9-15H2/t18-,20+/m1/s1/i21-1