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

Systemtic Name: methyl 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-methoxy-4-triflyloxy-phenyl)propionic acid methyl ester Formula: C17H22F3NO8S MolecularWeight: 457.41869

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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)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3NO8S/c1-16(2,3)28-15(23)21-11(14(22)27-5)8-10-6-7-12(13(9-10)26-4)29-30(24,25)17(18,19)20/h6-7,9,11H,8H2,1-5H3,(H,21,23)