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

Systemtic Name: 2-acetyloxybenzoate; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Openeye Name: 2-acetoxybenzoate; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol CAS Name: 2-acetyloxybenzoate; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol IUPAC Name: 2-acetyloxybenzoate; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Traditional Name: 2-acetoxybenzoate; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol Formula: C29H31N2O6- MolecularWeight: 503.56624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)[O-].COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)[O-].COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

InChI

InChI=1S/C20H24N2O2.C9H8O4/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;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5H,1H3,(H,11,12)/p-1