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

Systemtic Name: [4-ethyl-2,5-bis(oxidanylidene)-3-prop-2-ynyl-imidazolidin-1-yl]methyl 2-[[2-chloranyl-4-(trifluoromethyl)phenyl]amino]-3-methyl-butanoate Openeye Name: (4-ethyl-2,5-dioxo-3-prop-2-ynyl-imidazolidin-1-yl)methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid (4-ethyl-2,5-dioxo-3-prop-2-ynyl-1-imidazolidinyl)methyl ester IUPAC Name: (4-ethyl-2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate Traditional Name: 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butyric acid (4-ethyl-2,5-diketo-3-propargyl-imidazolidin-1-yl)methyl ester Formula: C21H23ClF3N3O4 MolecularWeight: 473.87323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(=O)N1CC#C)COC(=O)C(C(C)C)NC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CCC1C(=O)N(C(=O)N1CC#C)COC(=O)C(C(C)C)NC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C21H23ClF3N3O4/c1-5-9-27-16(6-2)18(29)28(20(27)31)11-32-19(30)17(12(3)4)26-15-8-7-13(10-14(15)22)21(23,24)25/h1,7-8,10,12,16-17,26H,6,9,11H2,2-4H3