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

Systemtic Name: ethyl 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-prop-2-enyl-benzoate Openeye Name: ethyl 3-allyl-4-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]benzoate CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-prop-2-enylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-prop-2-enylbenzoate Traditional Name: 3-allyl-4-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]benzoic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/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/h3,6-7,14,16,19-20,23H,1,4-5,10-13H2,2H3