2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethylsulfonyloxy)phenyl]acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-(4-triflyloxyphenyl)acetic acid Formula: C14H16F3NO7S MolecularWeight: 399.33955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3NO7S/c1-13(2,3)24-12(21)18-10(11(19)20)8-4-6-9(7-5-8)25-26(22,23)14(15,16)17/h4-7,10H,1-3H3,(H,18,21)(H,19,20)