1-cyclohexyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-phenyl-quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-phenyl-quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[2-(tert-butoxycarbonylamino)ethylamino]-2-phenyl-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-2-phenyl-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-phenylquinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(tert-butoxycarbonylamino)ethylamino]-2-phenyl-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H39N5O4 MolecularWeight: 605.72596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC1=CC(=NC2=C1C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC1=CC(=NC2=C1C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C36H39N5O4/c1-36(2,3)45-35(44)38-19-18-37-30-22-29(23-10-6-4-7-11-23)39-28-16-14-24(20-27(28)30)33-40-31-21-25(34(42)43)15-17-32(31)41(33)26-12-8-5-9-13-26/h4,6-7,10-11,14-17,20-22,26H,5,8-9,12-13,18-19H2,1-3H3,(H,37,39)(H,38,44)(H,42,43)