sodium 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylate Openeye Name: sodium 4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylate CAS Name: sodium 4,4-bis[4-(2-quinolinylmethoxy)phenyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylate Traditional Name: sodium 4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylate Formula: C39H33N2NaO4 MolecularWeight: 616.68009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)[O-])(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6.[Na+]

Isomeric SMILES

C1CC(CCC1C(=O)[O-])(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6.[Na+]

InChI

InChI=1S/C39H34N2O4.Na/c42-38(43)29-21-23-39(24-22-29,30-11-17-34(18-12-30)44-25-32-15-9-27-5-1-3-7-36(27)40-32)31-13-19-35(20-14-31)45-26-33-16-10-28-6-2-4-8-37(28)41-33;/h1-20,29H,21-26H2,(H,42,43);/q;+1/p-1