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

Systemtic Name: 1-cyclohexyl-2-[3-[[2-[(4-methoxy-3-nitro-phenyl)carbonylamino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[[2-[(4-methoxy-3-nitro-benzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]anilino]-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[[2-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[[2-[(4-methoxy-3-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=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC(=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC(=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)[N+](=O)[O-]

InChI

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