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

Systemtic Name: 2-[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]phenyl]propanoic acid Openeye Name: 2-[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]phenyl]propanoic acid CAS Name: 2-[4-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]phenyl]propanoic acid Traditional Name: 2-[4-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]phenyl]propionic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-17(27(32)33)18-7-10-21(11-8-18)28-26(31)19-9-12-24-23(15-19)29-25(20-13-14-34-16-20)30(24)22-5-3-2-4-6-22/h7-17,22H,2-6H2,1H3,(H,28,31)(H,32,33)