methyl 4-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[1-(2-furylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[1-(2-furanylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[1-(2-furfuryl)-5-(trifluoromethyl)benzimidazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C22H16F3N3O4 MolecularWeight: 443.37535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O4/c1-31-20(30)14-6-4-13(5-7-14)19(29)27-21-26-17-11-15(22(23,24)25)8-9-18(17)28(21)12-16-3-2-10-32-16/h2-11H,12H2,1H3,(H,26,27,29)