1-azabicyclo[2.2.2]octan-3-yl 3-(3,5-dimethylmorpholin-4-yl)-2-oxidanyl-2-phenyl-propanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-(3,5-dimethylmorpholin-4-yl)-2-oxidanyl-2-phenyl-propanoate Openeye Name: quinuclidin-3-yl 3-(3,5-dimethylmorpholin-4-yl)-2-hydroxy-2-phenyl-propanoate CAS Name: 3-(3,5-dimethyl-4-morpholinyl)-2-hydroxy-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-(3,5-dimethylmorpholin-4-yl)-2-hydroxy-2-phenylpropanoate Traditional Name: 3-(3,5-dimethylmorpholino)-2-hydroxy-2-phenyl-propionic acid quinuclidin-3-yl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1CC(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O)C

Isomeric SMILES

CC1COCC(N1CC(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O)C

InChI

InChI=1S/C22H32N2O4/c1-16-13-27-14-17(2)24(16)15-22(26,19-6-4-3-5-7-19)21(25)28-20-12-23-10-8-18(20)9-11-23/h3-7,16-18,20,26H,8-15H2,1-2H3