[2-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[2,5-dimethyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)benzoate Openeye Name: [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl] 2-(furan-2-carbonylamino)benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate Traditional Name: 2-(2-furoylamino)benzoic acid [2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H19F3N2O5 MolecularWeight: 448.39187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H19F3N2O5/c1-13-10-16(14(2)27(13)12-22(23,24)25)18(28)11-32-21(30)15-6-3-4-7-17(15)26-20(29)19-8-5-9-31-19/h3-10H,11-12H2,1-2H3,(H,26,29)