2-(4-ethoxyphenyl)-N-[4-[[4-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-[4-[[4-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[4-[[4-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[4-[[4-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]cyclohexyl]methyl]cyclohexyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[4-[[4-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]methyl]cyclohexyl]quinoline-4-carboxamide Traditional Name: 2-p-phenetyl-N-[4-[[4-[(2-p-phenetylquinoline-4-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]cinchoninamide Formula: C49H52N4O4 MolecularWeight: 760.96158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCC(CC4)CC5CCC(CC5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=CC=C(C=C8)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCC(CC4)CC5CCC(CC5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=CC=C(C=C8)OCC

InChI

InChI=1S/C49H52N4O4/c1-3-56-38-25-17-34(18-26-38)46-30-42(40-9-5-7-11-44(40)52-46)48(54)50-36-21-13-32(14-22-36)29-33-15-23-37(24-16-33)51-49(55)43-31-47(53-45-12-8-6-10-41(43)45)35-19-27-39(28-20-35)57-4-2/h5-12,17-20,25-28,30-33,36-37H,3-4,13-16,21-24,29H2,1-2H3,(H,50,54)(H,51,55)