[2,5-bis(oxidanylidene)-3-prop-2-ynyl-imidazolidin-1-yl]methyl 2-cyano-2-[[2-fluoranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate

Systemtic Name: [2,5-bis(oxidanylidene)-3-prop-2-ynyl-imidazolidin-1-yl]methyl 2-cyano-2-[[2-fluoranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: (2,5-dioxo-3-prop-2-ynyl-imidazolidin-1-yl)methyl 2-cyano-2-[2-fluoro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: 2-cyano-2-[2-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid (2,5-dioxo-3-prop-2-ynyl-1-imidazolidinyl)methyl ester IUPAC Name: (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 2-cyano-2-[2-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: 2-cyano-2-[2-fluoro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid (2,5-diketo-3-propargyl-imidazolidin-1-yl)methyl ester Formula: C20H18F4N4O4 MolecularWeight: 454.374933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C(=O)OCN1C(=O)CN(C1=O)CC#C)NC2=C(C=C(C=C2)C(F)(F)F)F

Isomeric SMILES

CC(C)C(C#N)(C(=O)OCN1C(=O)CN(C1=O)CC#C)NC2=C(C=C(C=C2)C(F)(F)F)F

InChI

InChI=1S/C20H18F4N4O4/c1-4-7-27-9-16(29)28(18(27)31)11-32-17(30)19(10-25,12(2)3)26-15-6-5-13(8-14(15)21)20(22,23)24/h1,5-6,8,12,26H,7,9,11H2,2-3H3