(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol benzoate

Systemtic Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol benzoate Openeye Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol benzoate CAS Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol benzoate IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol benzoate Traditional Name: (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol benzoate Formula: C27H29N2O4- MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C20H24N2O2.C7H6O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-7(9)6-4-2-1-3-5-6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5H,(H,8,9)/p-1