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

Systemtic Name: 3-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-(3-chloro-4-hydroxy-5-methyl-phenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-(3-chloro-4-hydroxy-5-methylphenyl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-chloro-4-hydroxy-5-methylphenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-(3-chloro-4-hydroxy-5-methyl-phenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H28ClN3O5 MolecularWeight: 521.99202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)Cl)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)Cl)O

InChI

InChI=1S/C28H28ClN3O5/c1-16-11-17(12-21(29)25(16)33)13-23(28(35)36)31-27(34)18-7-8-24-22(14-18)30-26(19-9-10-37-15-19)32(24)20-5-3-2-4-6-20/h7-12,14-15,20,23,33H,2-6,13H2,1H3,(H,31,34)(H,35,36)