5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclooctane-1-carboxylic acid

Systemtic Name: 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclooctane-1-carboxylic acid Openeye Name: 5,5-bis[4-(2-quinolylmethoxy)phenyl]cyclooctanecarboxylic acid CAS Name: 5,5-bis[4-(2-quinolinylmethoxy)phenyl]-1-cyclooctanecarboxylic acid IUPAC Name: 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclooctane-1-carboxylic acid Traditional Name: 5,5-bis[4-(2-quinolylmethoxy)phenyl]cyclooctanecarboxylic acid Formula: C41H38N2O4 MolecularWeight: 622.75142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(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(CCCC(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/C41H38N2O4/c44-40(45)31-9-5-25-41(26-6-10-31,32-15-21-36(22-16-32)46-27-34-19-13-29-7-1-3-11-38(29)42-34)33-17-23-37(24-18-33)47-28-35-20-14-30-8-2-4-12-39(30)43-35/h1-4,7-8,11-24,31H,5-6,9-10,25-28H2,(H,44,45)