1-azabicyclo[2.2.2]octan-3-yl 5-methyl-2-oxidanyl-2-phenyl-hept-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 5-methyl-2-oxidanyl-2-phenyl-hept-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-5-methyl-2-phenyl-hept-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-phenyl-3-heptynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate Traditional Name: 2-hydroxy-5-methyl-2-phenyl-hept-3-ynoic acid quinuclidin-3-yl ester Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-3-16(2)9-12-21(24,18-7-5-4-6-8-18)20(23)25-19-15-22-13-10-17(19)11-14-22/h4-8,16-17,19,24H,3,10-11,13-15H2,1-2H3