1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-3-methyl-2-oxidanyl-but-3-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-3-methyl-2-oxidanyl-but-3-enoate Openeye Name: quinuclidin-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methyl-but-3-enoate CAS Name: 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methyl-3-butenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate Traditional Name: 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methyl-but-3-enoic acid quinuclidin-3-yl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-13(2)20(23,15-5-6-16(24-3)17(11-15)25-4)19(22)26-18-12-21-9-7-14(18)8-10-21/h5-6,11,14,18,23H,1,7-10,12H2,2-4H3