2-(1,3-benzodioxol-5-yl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]acetic acid Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C4=CC5=C(C=C4)OCO5)C(=O)O)N=C2C6=COC=C6

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(C4=CC5=C(C=C4)OCO5)C(=O)O)N=C2C6=COC=C6

InChI

InChI=1S/C27H25N3O6/c31-26(29-24(27(32)33)16-7-9-22-23(13-16)36-15-35-22)17-6-8-21-20(12-17)28-25(18-10-11-34-14-18)30(21)19-4-2-1-3-5-19/h6-14,19,24H,1-5,15H2,(H,29,31)(H,32,33)