1-azabicyclo[2.2.2]octan-3-yl 4-methoxy-2-oxidanyl-2-phenyl-butanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-methoxy-2-oxidanyl-2-phenyl-butanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-4-methoxy-2-phenyl-butanoate CAS Name: 2-hydroxy-4-methoxy-2-phenylbutanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-4-methoxy-2-phenylbutanoate Traditional Name: 2-hydroxy-4-methoxy-2-phenyl-butyric acid quinuclidin-3-yl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

COCCC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C18H25NO4/c1-22-12-9-18(21,15-5-3-2-4-6-15)17(20)23-16-13-19-10-7-14(16)8-11-19/h2-6,14,16,21H,7-13H2,1H3