2-[2-[2-(4-chlorophenyl)-5-nitro-phenyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(4-chlorophenyl)-5-nitro-phenyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[2-(4-chlorophenyl)-5-nitro-phenyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[2-(4-chlorophenyl)-5-nitrophenyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[2-(4-chlorophenyl)-5-nitrophenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[2-(4-chlorophenyl)-5-nitro-phenyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C35H27ClN4O4 MolecularWeight: 603.06628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)[N+](=O)[O-])C7=CC=C(C=C7)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)[N+](=O)[O-])C7=CC=C(C=C7)Cl

InChI

InChI=1S/C35H27ClN4O4/c36-25-11-6-21(7-12-25)28-14-13-27(40(43)44)20-29(28)31-16-8-22-18-23(9-15-30(22)37-31)34-38-32-19-24(35(41)42)10-17-33(32)39(34)26-4-2-1-3-5-26/h6-20,26H,1-5H2,(H,41,42)