1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-pyrazol-1-yl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-2-pyrazol-1-yl-propanoate Openeye Name: quinuclidin-3-yl 3-hydroxy-2-phenyl-2-pyrazol-1-yl-propanoate CAS Name: 3-hydroxy-2-phenyl-2-(1-pyrazolyl)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-pyrazol-1-ylpropanoate Traditional Name: 3-hydroxy-2-phenyl-2-pyrazol-1-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)N4C=CC=N4

Isomeric SMILES

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

InChI

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