2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-methyl-2-oxidanylidene-chromen-6-yl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-methyl-2-oxidanylidene-chromen-6-yl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-methyl-2-oxo-chromen-6-yl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-methyl-2-oxo-1-benzopyran-6-yl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-methyl-2-oxochromen-6-yl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(2-keto-4-methyl-chromen-6-yl)propionic acid Formula: C31H29N3O6 MolecularWeight: 539.57846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=C(C=C2)CC(C(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6

Isomeric SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)CC(C(=O)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6

InChI

InChI=1S/C31H29N3O6/c1-18-13-28(35)40-27-10-7-19(14-23(18)27)15-25(31(37)38)33-30(36)20-8-9-26-24(16-20)32-29(21-11-12-39-17-21)34(26)22-5-3-2-4-6-22/h7-14,16-17,22,25H,2-6,15H2,1H3,(H,33,36)(H,37,38)