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

Systemtic Name: 3-[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]butanoylamino]benzoic acid Openeye Name: 3-[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]butanoylamino]benzoic acid CAS Name: 3-[[3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]butanoylamino]benzoic acid Traditional Name: 3-[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]butanoylamino]benzoic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=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(CC(=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/C29H30N4O5/c1-18(14-26(34)31-22-7-5-6-20(15-22)29(36)37)30-28(35)19-10-11-25-24(16-19)32-27(21-12-13-38-17-21)33(25)23-8-3-2-4-9-23/h5-7,10-13,15-18,23H,2-4,8-9,14H2,1H3,(H,30,35)(H,31,34)(H,36,37)