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

Systemtic Name: ethyl 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-propyl-benzoate Openeye Name: ethyl 4-[2-(3-hydroxyquinuclidin-3-yl)ethynyl]-3-propyl-benzoate CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-propylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-propylbenzoate Traditional Name: 4-[2-(3-hydroxyquinuclidin-3-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#CC2(CN3CCC2CC3)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OCC)C#CC2(CN3CCC2CC3)O

InChI

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