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

Systemtic Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(3-ethanoyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-(3-acetyl-4-hydroxyphenyl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-acetyl-4-hydroxyphenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O6/c1-17(33)22-13-18(7-10-26(22)34)14-24(29(36)37)31-28(35)19-8-9-25-23(15-19)30-27(20-11-12-38-16-20)32(25)21-5-3-2-4-6-21/h7-13,15-16,21,24,34H,2-6,14H2,1H3,(H,31,35)(H,36,37)