[(S)-(6-methoxyquinolin-4-yl)-[(2R,4S)-5-oxidanylidene-1-azabicyclo[2.2.2]octan-2-yl]methyl] benzoate

Systemtic Name: [(S)-(6-methoxyquinolin-4-yl)-[(2R,4S)-5-oxidanylidene-1-azabicyclo[2.2.2]octan-2-yl]methyl] benzoate Openeye Name: [(S)-(6-methoxy-4-quinolyl)-[(2R,4S)-5-oxoquinuclidin-2-yl]methyl] benzoate CAS Name: benzoic acid [(S)-(6-methoxy-4-quinolinyl)-[(2R,4S)-5-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl] ester IUPAC Name: [(S)-(6-methoxyquinolin-4-yl)-[(2R,4S)-5-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl] benzoate Traditional Name: benzoic acid [(S)-[(2R,4S)-5-ketoquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methyl] ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4=O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3CC4=O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H24N2O4/c1-30-18-7-8-21-20(14-18)19(9-11-26-21)24(31-25(29)16-5-3-2-4-6-16)22-13-17-10-12-27(22)15-23(17)28/h2-9,11,14,17,22,24H,10,12-13,15H2,1H3/t17-,22+,24-/m0/s1