1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenyl)-2-imidazol-1-yl-3-oxidanyl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenyl)-2-imidazol-1-yl-3-oxidanyl-propanoate Openeye Name: quinuclidin-3-yl 2-(4-fluorophenyl)-3-hydroxy-2-imidazol-1-yl-propanoate CAS Name: 2-(4-fluorophenyl)-3-hydroxy-2-(1-imidazolyl)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenyl)-3-hydroxy-2-imidazol-1-ylpropanoate Traditional Name: 2-(4-fluorophenyl)-3-hydroxy-2-imidazol-1-yl-propionic acid quinuclidin-3-yl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=C(C=C3)F)N4C=CN=C4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=C(C=C3)F)N4C=CN=C4

InChI

InChI=1S/C19H22FN3O3/c20-16-3-1-15(2-4-16)19(12-24,23-10-7-21-13-23)18(25)26-17-11-22-8-5-14(17)6-9-22/h1-4,7,10,13-14,17,24H,5-6,8-9,11-12H2