propan-2-yl 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: propan-2-yl 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: isopropyl 2-(benzyloxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-triflyloxyphenyl)propionic acid isopropyl ester Formula: C21H22F3NO7S MolecularWeight: 489.46209

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22F3NO7S/c1-14(2)31-19(26)18(25-20(27)30-13-16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)32-33(28,29)21(22,23)24/h3-11,14,18H,12-13H2,1-2H3,(H,25,27)