(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-ethynyl-3-methyl-2-oxidanyl-pentanoate

Systemtic Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-ethynyl-3-methyl-2-oxidanyl-pentanoate Openeye Name: (2-methylquinuclidin-3-yl) 2-ethynyl-2-hydroxy-3-methyl-pentanoate CAS Name: 2-ethynyl-2-hydroxy-3-methylpentanoic 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-ethynyl-2-hydroxy-3-methylpentanoate Traditional Name: 2-hydroxy-2-sec-butyl-but-3-ynoic acid (2-methylquinuclidin-3-yl) ester Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C#C)(C(=O)OC1C(N2CCC1CC2)C)O

Isomeric SMILES

CCC(C)C(C#C)(C(=O)OC1C(N2CCC1CC2)C)O

InChI

InChI=1S/C16H25NO3/c1-5-11(3)16(19,6-2)15(18)20-14-12(4)17-9-7-13(14)8-10-17/h2,11-14,19H,5,7-10H2,1,3-4H3