3-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoylamino]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoylamino]-4-oxidanyl-benzoic acid Openeye Name: 3-[2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoylamino]-4-hydroxy-benzoic acid CAS Name: 3-[[2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxopropyl]amino]-4-hydroxybenzoic acid IUPAC Name: 3-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]-4-hydroxybenzoic acid Traditional Name: 3-[2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoylamino]-4-hydroxy-benzoic acid Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C28H28N4O6/c1-16(26(34)31-22-14-18(28(36)37)8-10-24(22)33)29-27(35)17-7-9-23-21(13-17)30-25(19-11-12-38-15-19)32(23)20-5-3-2-4-6-20/h7-16,20,33H,2-6H2,1H3,(H,29,35)(H,31,34)(H,36,37)