ethyl 3-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-quinolin-3-yl]methyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-quinolin-3-yl]methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[[4-[(1-cyclohexylethylamino)-oxomethyl]-2-phenyl-3-quinolinyl]methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenylquinolin-3-yl]methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]isonipecotoyl]amino]benzoic acid ethyl ester Formula: C40H46N4O4 MolecularWeight: 646.81764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)NC(C)C6CCCCC6

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)NC(C)C6CCCCC6

InChI

InChI=1S/C40H46N4O4/c1-3-48-40(47)31-17-12-18-32(25-31)42-38(45)30-21-23-44(24-22-30)26-34-36(39(46)41-27(2)28-13-6-4-7-14-28)33-19-10-11-20-35(33)43-37(34)29-15-8-5-9-16-29/h5,8-12,15-20,25,27-28,30H,3-4,6-7,13-14,21-24,26H2,1-2H3,(H,41,46)(H,42,45)