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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-oxidanyl-4-phenyl-but-3-ynoate Openeye Name: quinuclidin-3-yl 2-cyclopentyl-2-hydroxy-4-phenyl-but-3-ynoate CAS Name: 2-cyclopentyl-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-cyclopentyl-2-hydroxy-4-phenylbut-3-ynoate Traditional Name: 2-cyclopentyl-2-hydroxy-4-phenyl-but-3-ynoic acid quinuclidin-3-yl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C#CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

Isomeric SMILES

C1CCC(C1)C(C#CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O

InChI

InChI=1S/C22H27NO3/c24-21(26-20-16-23-14-11-18(20)12-15-23)22(25,19-8-4-5-9-19)13-10-17-6-2-1-3-7-17/h1-3,6-7,18-20,25H,4-5,8-9,11-12,14-16H2