tert-butyl (2S)-4-methyl-2-[2-oxidanylidene-4,4-bis(trifluoromethyl)imidazolidin-1-yl]pentanoate

Systemtic Name: tert-butyl (2S)-4-methyl-2-[2-oxidanylidene-4,4-bis(trifluoromethyl)imidazolidin-1-yl]pentanoate Openeye Name: tert-butyl (2S)-4-methyl-2-[2-oxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]pentanoate CAS Name: (2S)-4-methyl-2-[2-oxo-4,4-bis(trifluoromethyl)-1-imidazolidinyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[2-oxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]pentanoate Traditional Name: (2S)-2-[2-keto-4,4-bis(trifluoromethyl)imidazolidin-1-yl]-4-methyl-valeric acid tert-butyl ester Formula: C15H22F6N2O3 MolecularWeight: 392.337199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)N1CC(NC1=O)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC(NC1=O)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H22F6N2O3/c1-8(2)6-9(10(24)26-12(3,4)5)23-7-13(14(16,17)18,15(19,20)21)22-11(23)25/h8-9H,6-7H2,1-5H3,(H,22,25)/t9-/m0/s1