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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-hept-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-hept-3-ynoate CAS Name: 2-hydroxy-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-2-phenylhept-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-hept-3-ynoic acid quinuclidin-3-yl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-2-3-7-12-20(23,17-8-5-4-6-9-17)19(22)24-18-15-21-13-10-16(18)11-14-21/h4-6,8-9,16,18,23H,2-3,10-11,13-15H2,1H3