2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxy-3,5-dimethyl-phenyl)propionic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C29H31N3O5/c1-17-12-19(13-18(2)26(17)33)14-24(29(35)36)31-28(34)20-8-9-25-23(15-20)30-27(21-10-11-37-16-21)32(25)22-6-4-3-5-7-22/h8-13,15-16,22,24,33H,3-7,14H2,1-2H3,(H,31,34)(H,35,36)