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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-(1H-pyrazol-5-yl)propanoate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-phenyl-2-(1H-pyrazol-5-yl)propanoate CAS Name: 3-hydroxy-2-phenyl-2-(1H-pyrazol-5-yl)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-(1H-pyrazol-5-yl)propanoate Traditional Name: 3-hydroxy-2-phenyl-2-(1H-pyrazol-5-yl)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=CC=NN4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=NN4

InChI

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