2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethylsulfonyloxy)phenyl]propanoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)-3-(trifluoromethylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(trifluoromethylsulfonyloxy)phenyl]propanoic acid IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethylsulfonyloxy)phenyl]propanoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)-3-triflyloxy-phenyl]propionic acid Formula: C15H18F3NO7S MolecularWeight: 413.36613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H18F3NO7S/c1-8(12(20)21)9-6-5-7-10(26-27(23,24)15(16,17)18)11(9)19-13(22)25-14(2,3)4/h5-8H,1-4H3,(H,19,22)(H,20,21)