methyl 3-oxidanyl-3-(phenylmethyl)-2-(2-pyridin-2-ylethynyl)-1-azabicyclo[2.2.2]octane-5-carboxylate

Systemtic Name: methyl 3-oxidanyl-3-(phenylmethyl)-2-(2-pyridin-2-ylethynyl)-1-azabicyclo[2.2.2]octane-5-carboxylate Openeye Name: methyl 5-benzyl-5-hydroxy-6-[2-(2-pyridyl)ethynyl]quinuclidine-3-carboxylate CAS Name: 3-hydroxy-3-(phenylmethyl)-2-[2-(2-pyridinyl)ethynyl]-1-azabicyclo[2.2.2]octane-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-3-hydroxy-2-(2-pyridin-2-ylethynyl)-1-azabicyclo[2.2.2]octane-5-carboxylate Traditional Name: 5-benzyl-5-hydroxy-6-[2-(2-pyridyl)ethynyl]quinuclidine-3-carboxylic acid methyl ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN2CCC1C(C2C#CC3=CC=CC=N3)(CC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1CN2CCC1C(C2C#CC3=CC=CC=N3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C23H24N2O3/c1-28-22(26)19-16-25-14-12-20(19)23(27,15-17-7-3-2-4-8-17)21(25)11-10-18-9-5-6-13-24-18/h2-9,13,19-21,27H,12,14-16H2,1H3