benzoic acid; (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Systemtic Name: benzoic acid; (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Openeye Name: benzoic acid; (5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methanol CAS Name: benzoic acid; (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol IUPAC Name: benzoic acid; (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Traditional Name: benzoic acid; (5-ethylquinuclidin-2-yl)-(6-methoxy-4-quinolyl)methanol Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C20H26N2O2.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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1-5H,(H,8,9)