1-azabicyclo[2.2.2]octan-3-yl 2-(1H-imidazol-5-yl)-3-oxidanyl-2-phenyl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(1H-imidazol-5-yl)-3-oxidanyl-2-phenyl-propanoate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-(1H-imidazol-5-yl)-2-phenyl-propanoate CAS Name: 3-hydroxy-2-(1H-imidazol-5-yl)-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-(1H-imidazol-5-yl)-2-phenylpropanoate Traditional Name: 3-hydroxy-2-(1H-imidazol-5-yl)-2-phenyl-propionic acid quinuclidin-3-yl ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CN=CN4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CN=CN4

InChI

InChI=1S/C19H23N3O3/c23-12-19(17-10-20-13-21-17,15-4-2-1-3-5-15)18(24)25-16-11-22-8-6-14(16)7-9-22/h1-5,10,13-14,16,23H,6-9,11-12H2,(H,20,21)