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

Systemtic Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cycloheptane-1-carboxylic acid Openeye Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]cycloheptanecarboxylic acid CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]-1-cycloheptanecarboxylic acid IUPAC Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]cycloheptane-1-carboxylic acid Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]cycloheptanecarboxylic acid Formula: C40H36N2O4 MolecularWeight: 608.72484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC(C1)C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

C1CCC(CC(C1)C(=O)O)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C40H36N2O4/c43-39(44)30-9-5-6-24-40(25-30,31-14-20-35(21-15-31)45-26-33-18-12-28-7-1-3-10-37(28)41-33)32-16-22-36(23-17-32)46-27-34-19-13-29-8-2-4-11-38(29)42-34/h1-4,7-8,10-23,30H,5-6,9,24-27H2,(H,43,44)