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

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-triflyloxyphenyl)propionic acid methyl ester Formula: C19H18F3NO7S MolecularWeight: 461.40893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3NO7S/c1-28-17(24)16(23-18(25)29-12-14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)30-31(26,27)19(20,21)22/h2-10,16H,11-12H2,1H3,(H,23,25)