1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-oct-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-oct-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-oct-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-octynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyloct-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-oct-3-ynoic acid quinuclidin-3-yl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-2-3-4-8-13-21(24,18-9-6-5-7-10-18)20(23)25-19-16-22-14-11-17(19)12-15-22/h5-7,9-10,17,19,24H,2-4,11-12,14-16H2,1H3