ethyl 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-propyl-benzoate

Systemtic Name: ethyl 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-propyl-benzoate Openeye Name: ethyl 4-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]-3-propyl-benzoate CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-propylbenzoate Traditional Name: 4-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]-3-propyl-benzoic acid ethyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OCC)C#CC2C(C3CCN2CC3)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OCC)C#CC2C(C3CCN2CC3)O

InChI

InChI=1S/C21H27NO3/c1-3-5-17-14-18(21(24)25-4-2)7-6-15(17)8-9-19-20(23)16-10-12-22(19)13-11-16/h6-7,14,16,19-20,23H,3-5,10-13H2,1-2H3