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

Systemtic Name: 3-(4-cyanophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-cyanophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-(4-cyanophenyl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-(4-cyanophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)C#N)C(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)C#N)C(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C28H26N4O4/c29-16-19-8-6-18(7-9-19)14-24(28(34)35)31-27(33)20-10-11-25-23(15-20)30-26(21-12-13-36-17-21)32(25)22-4-2-1-3-5-22/h6-13,15,17,22,24H,1-5,14H2,(H,31,33)(H,34,35)