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

Systemtic Name: [2,5-bis(oxidanylidene)-3-prop-2-ynyl-imidazolidin-1-yl]methyl 3-methyl-2-[[2-methyl-4-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: (2,5-dioxo-3-prop-2-ynyl-imidazolidin-1-yl)methyl 3-methyl-2-[2-methyl-4-(trifluoromethyl)anilino]butanoate CAS Name: 3-methyl-2-[2-methyl-4-(trifluoromethyl)anilino]butanoic acid (2,5-dioxo-3-prop-2-ynyl-1-imidazolidinyl)methyl ester IUPAC Name: (2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 3-methyl-2-[2-methyl-4-(trifluoromethyl)anilino]butanoate Traditional Name: 3-methyl-2-[2-methyl-4-(trifluoromethyl)anilino]butyric acid (2,5-diketo-3-propargyl-imidazolidin-1-yl)methyl ester Formula: C20H22F3N3O4 MolecularWeight: 425.40159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(F)(F)F)NC(C(C)C)C(=O)OCN2C(=O)CN(C2=O)CC#C

Isomeric SMILES

CC1=C(C=CC(=C1)C(F)(F)F)NC(C(C)C)C(=O)OCN2C(=O)CN(C2=O)CC#C

InChI

InChI=1S/C20H22F3N3O4/c1-5-8-25-10-16(27)26(19(25)29)11-30-18(28)17(12(2)3)24-15-7-6-14(9-13(15)4)20(21,22)23/h1,6-7,9,12,17,24H,8,10-11H2,2-4H3