methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-fluoranyl-benzoate Openeye Name: methyl 4-fluoro-3-(quinuclidin-3-ylamino)benzoate CAS Name: 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-fluorobenzoate Traditional Name: 4-fluoro-3-(quinuclidin-3-ylamino)benzoic acid methyl ester Formula: C15H19FN2O2 MolecularWeight: 278.321963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC2CN3CCC2CC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC2CN3CCC2CC3

InChI

InChI=1S/C15H19FN2O2/c1-20-15(19)11-2-3-12(16)13(8-11)17-14-9-18-6-4-10(14)5-7-18/h2-3,8,10,14,17H,4-7,9H2,1H3