2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-triflyloxyphenyl)propionate Formula: C15H17F3NO7S- MolecularWeight: 412.35819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C15H18F3NO7S/c1-14(2,3)25-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)26-27(23,24)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/p-1