1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-(1,2,3-triazol-1-yl)propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-(1,2,3-triazol-1-yl)propanoate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-phenyl-2-(triazol-1-yl)propanoate CAS Name: 3-hydroxy-2-phenyl-2-(1-triazolyl)propanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenyl-2-(triazol-1-yl)propanoate Traditional Name: 3-hydroxy-2-phenyl-2-(triazol-1-yl)propionic acid quinuclidin-3-yl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)N4C=CN=N4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)N4C=CN=N4

InChI

InChI=1S/C18H22N4O3/c23-13-18(22-11-8-19-20-22,15-4-2-1-3-5-15)17(24)25-16-12-21-9-6-14(16)7-10-21/h1-5,8,11,14,16,23H,6-7,9-10,12-13H2