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

Systemtic Name: ethyl 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylate CAS Name: 4,4-bis[4-(2-quinolinylmethoxy)phenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexane-1-carboxylate Traditional Name: 4,4-bis[4-(2-quinolylmethoxy)phenyl]cyclohexanecarboxylic acid ethyl ester Formula: C41H38N2O4 MolecularWeight: 622.75142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CCOC(=O)C1CCC(CC1)(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/C41H38N2O4/c1-2-45-40(44)31-23-25-41(26-24-31,32-13-19-36(20-14-32)46-27-34-17-11-29-7-3-5-9-38(29)42-34)33-15-21-37(22-16-33)47-28-35-18-12-30-8-4-6-10-39(30)43-35/h3-22,31H,2,23-28H2,1H3