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

Systemtic Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclooctane-1-carboxylic acid Openeye Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]cyclooctanecarboxylic acid CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]-1-cyclooctanecarboxylic acid IUPAC Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclooctane-1-carboxylic acid Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]cyclooctanecarboxylic acid Formula: C41H38N2O4 MolecularWeight: 622.75142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC(CC1)(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

C1CCC(CC(CC1)(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)31-10-2-1-7-25-41(26-31,32-15-21-36(22-16-32)46-27-34-19-13-29-8-3-5-11-38(29)42-34)33-17-23-37(24-18-33)47-28-35-20-14-30-9-4-6-12-39(30)43-35/h3-6,8-9,11-24,31H,1-2,7,10,25-28H2,(H,44,45)