dimethyl 3-[4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[5-methyl-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[5-methyl-2-(trifluoromethyl)-3-furoyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H18F3N3O6 MolecularWeight: 417.33653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C(F)(F)F)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC1=CC(=C(O1)C(F)(F)F)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C17H18F3N3O6/c1-9-4-12(15(29-9)17(18,19)20)16(26)22-10-7-21-23(8-10)11(5-13(24)27-2)6-14(25)28-3/h4,7-8,11H,5-6H2,1-3H3,(H,22,26)