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

Systemtic Name: 3-[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]butanoylamino]-4-oxidanyl-benzoic acid Openeye Name: 3-[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]butanoylamino]-4-hydroxy-benzoic acid CAS Name: 3-[[3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxobutyl]amino]-4-hydroxybenzoic acid IUPAC Name: 3-[3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]butanoylamino]-4-hydroxybenzoic acid Traditional Name: 3-[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]butanoylamino]-4-hydroxy-benzoic acid Formula: C29H30N4O6 MolecularWeight: 530.5717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=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(CC(=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/C29H30N4O6/c1-17(13-26(35)31-23-15-19(29(37)38)8-10-25(23)34)30-28(36)18-7-9-24-22(14-18)32-27(20-11-12-39-16-20)33(24)21-5-3-2-4-6-21/h7-12,14-17,21,34H,2-6,13H2,1H3,(H,30,36)(H,31,35)(H,37,38)