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

Systemtic Name: 3-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoylamino]benzoic acid Openeye Name: 3-[2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoylamino]benzoic acid CAS Name: 3-[[2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]benzoic acid Traditional Name: 3-[2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoylamino]benzoic acid Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O5/c1-17(26(33)30-21-7-5-6-19(14-21)28(35)36)29-27(34)18-10-11-24-23(15-18)31-25(20-12-13-37-16-20)32(24)22-8-3-2-4-9-22/h5-7,10-17,22H,2-4,8-9H2,1H3,(H,29,34)(H,30,33)(H,35,36)