2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]methoxy]-4-phenyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(4-methylpiperazin-1-yl)carbonylphenyl]methoxy]-4-phenyl-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-4-phenyl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methoxy]-4-phenyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-4-phenylbenzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[3-(4-methylpiperazine-1-carbonyl)benzyl]oxy-4-phenyl-benzimidazole-5-carboxylic acid Formula: C39H39ClN4O4 MolecularWeight: 663.20436

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)COC3=C(C(=C4C(=C3)N(C(=N4)C5=CC=C(C=C5)Cl)C6CCCCC6)C7=CC=CC=C7)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)COC3=C(C(=C4C(=C3)N(C(=N4)C5=CC=C(C=C5)Cl)C6CCCCC6)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C39H39ClN4O4/c1-42-19-21-43(22-20-42)38(45)29-12-8-9-26(23-29)25-48-33-24-32-36(34(35(33)39(46)47)27-10-4-2-5-11-27)41-37(28-15-17-30(40)18-16-28)44(32)31-13-6-3-7-14-31/h2,4-5,8-12,15-18,23-24,31H,3,6-7,13-14,19-22,25H2,1H3,(H,46,47)