1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-oxidanyl-4-phenyl-but-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-oxidanyl-4-phenyl-but-3-ynoate Openeye Name: quinuclidin-3-yl 2-cyclohexyl-2-hydroxy-4-phenyl-but-3-ynoate CAS Name: 2-cyclohexyl-2-hydroxy-4-phenyl-3-butynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-hydroxy-4-phenylbut-3-ynoate Traditional Name: 2-cyclohexyl-2-hydroxy-4-phenyl-but-3-ynoic acid quinuclidin-3-yl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

Isomeric SMILES

C1CCC(CC1)C(C#CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

InChI

InChI=1S/C23H29NO3/c25-22(27-21-17-24-15-12-19(21)13-16-24)23(26,20-9-5-2-6-10-20)14-11-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,26H,2,5-6,9-10,12-13,15-17H2