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

Systemtic Name: 4-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-quinolin-3-yl]methyl]piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[[4-[(1-cyclohexylethylamino)-oxomethyl]-2-phenyl-3-quinolinyl]methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenylquinolin-3-yl]methyl]piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-[[4-(1-cyclohexylethylcarbamoyl)-2-phenyl-3-quinolyl]methyl]isonipecotoyl]amino]benzoic acid Formula: C38H42N4O4 MolecularWeight: 618.76448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)C(=O)NC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)C(=O)NC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C38H42N4O4/c1-25(26-10-4-2-5-11-26)39-37(44)34-31-14-8-9-15-33(31)41-35(27-12-6-3-7-13-27)32(34)24-42-22-20-28(21-23-42)36(43)40-30-18-16-29(17-19-30)38(45)46/h3,6-9,12-19,25-26,28H,2,4-5,10-11,20-24H2,1H3,(H,39,44)(H,40,43)(H,45,46)