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

Systemtic Name: ethyl 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-prop-2-enyl-benzoate Openeye Name: ethyl 3-allyl-4-[2-(3-hydroxyquinuclidin-3-yl)ethynyl]benzoate CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-prop-2-enylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-prop-2-enylbenzoate Traditional Name: 3-allyl-4-[2-(3-hydroxyquinuclidin-3-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#CC2(CN3CCC2CC3)O)CC=C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C#CC2(CN3CCC2CC3)O)CC=C

InChI

InChI=1S/C21H25NO3/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/h3,6-7,14,19,24H,1,4-5,9-10,12-13,15H2,2H3