3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid Openeye Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylic acid Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylic acid Formula: C39H34N2O4 MolecularWeight: 594.69826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)C(=O)O

Isomeric SMILES

C1CC(CC(C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)C(=O)O

InChI

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