2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-nitrophenyl)propionic acid Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C27H26N4O6/c32-26(29-23(27(33)34)14-17-6-9-21(10-7-17)31(35)36)18-8-11-24-22(15-18)28-25(19-12-13-37-16-19)30(24)20-4-2-1-3-5-20/h6-13,15-16,20,23H,1-5,14H2,(H,29,32)(H,33,34)