ethyl 3-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 3-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]benzoate Openeye Name: ethyl 3-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]benzoate CAS Name: 3-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]benzoate Traditional Name: 3-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]benzoic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C#CC2C(C3CCN2CC3)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C#CC2C(C3CCN2CC3)O

InChI

InChI=1S/C18H21NO3/c1-2-22-18(21)15-5-3-4-13(12-15)6-7-16-17(20)14-8-10-19(16)11-9-14/h3-5,12,14,16-17,20H,2,8-11H2,1H3