(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2-phenyl-hex-3-ynoate

Systemtic Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2-phenyl-hex-3-ynoate Openeye Name: (2-methylquinuclidin-3-yl) 2-hydroxy-2-phenyl-hex-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-hexynoic acid (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-hex-3-ynoic acid (2-methylquinuclidin-3-yl) ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC=CC=C1)(C(=O)OC2C(N3CCC2CC3)C)O

Isomeric SMILES

CCC#CC(C1=CC=CC=C1)(C(=O)OC2C(N3CCC2CC3)C)O

InChI

InChI=1S/C20H25NO3/c1-3-4-12-20(23,17-8-6-5-7-9-17)19(22)24-18-15(2)21-13-10-16(18)11-14-21/h5-9,15-16,18,23H,3,10-11,13-14H2,1-2H3