[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-oxidanyl-2-phenyl-pent-4-ynoate

Systemtic Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-oxidanyl-2-phenyl-pent-4-ynoate Openeye Name: [(3R)-quinuclidin-3-yl] (2S)-2-hydroxy-2-phenyl-pent-4-ynoate CAS Name: (2S)-2-hydroxy-2-phenyl-4-pentynoic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-hydroxy-2-phenylpent-4-ynoate Traditional Name: (2S)-2-hydroxy-2-phenyl-pent-4-ynoic acid [(3R)-quinuclidin-3-yl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

C#CC[C@](C1=CC=CC=C1)(C(=O)O[C@H]2CN3CCC2CC3)O

InChI

InChI=1S/C18H21NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h1,3-7,14,16,21H,8-13H2/t16-,18-/m0/s1