1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,4-diphenyl-but-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,4-diphenyl-but-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2,4-diphenyl-but-3-ynoate CAS Name: 2-hydroxy-2,4-diphenyl-3-butynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbut-3-ynoate Traditional Name: 2-hydroxy-2,4-diphenyl-but-3-ynoic acid quinuclidin-3-yl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C23H23NO3/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/h1-10,19,21,26H,12-13,15-17H2