methyl 5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-3-ynoate

Systemtic Name: methyl 5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-3-ynoate Openeye Name: methyl 5-amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoate CAS Name: 5-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(trifluoromethyl)-3-pentynoic acid methyl ester IUPAC Name: methyl 5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-3-ynoate Traditional Name: 5-amino-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester Formula: C12H17F3N2O4 MolecularWeight: 310.26959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C#CCN)(C(=O)OC)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(C#CCN)(C(=O)OC)C(F)(F)F

InChI

InChI=1S/C12H17F3N2O4/c1-10(2,3)21-9(19)17-11(6-5-7-16,8(18)20-4)12(13,14)15/h7,16H2,1-4H3,(H,17,19)