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

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

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)CCC(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)CCC(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C27H27N3O4/c31-25(32)12-9-18-5-4-6-21(15-18)28-27(33)19-10-11-24-23(16-19)29-26(20-13-14-34-17-20)30(24)22-7-2-1-3-8-22/h4-6,10-11,13-17,22H,1-3,7-9,12H2,(H,28,33)(H,31,32)