methyl 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(5-nitro-1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(5-nitro-1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoate CAS Name: 2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propanoate Traditional Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(5-nitro-1H-indol-3-yl)propionic acid methyl ester Formula: C30H29N5O6 MolecularWeight: 555.58116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6

Isomeric SMILES

COC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6

InChI

InChI=1S/C30H29N5O6/c1-40-30(37)26(14-20-16-31-24-9-8-22(35(38)39)15-23(20)24)33-29(36)18-7-10-27-25(13-18)32-28(19-11-12-41-17-19)34(27)21-5-3-2-4-6-21/h7-13,15-17,21,26,31H,2-6,14H2,1H3,(H,33,36)