1-cyclohexyl-2-[4-[[3-[(3-methoxy-4-nitro-phenyl)carbonylamino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[[3-[(3-methoxy-4-nitro-phenyl)carbonylamino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[4-[[3-[(3-methoxy-4-nitro-benzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[[3-[[(3-methoxy-4-nitrophenyl)-oxomethyl]amino]anilino]-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-[[3-[(3-methoxy-4-nitrobenzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-[[3-[(3-methoxy-4-nitro-benzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Formula: C35H31N5O7 MolecularWeight: 633.64994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C35H31N5O7/c1-47-31-19-23(14-17-30(31)40(45)46)34(42)37-26-7-5-6-25(20-26)36-33(41)22-12-10-21(11-13-22)32-38-28-18-24(35(43)44)15-16-29(28)39(32)27-8-3-2-4-9-27/h5-7,10-20,27H,2-4,8-9H2,1H3,(H,36,41)(H,37,42)(H,43,44)