(phenylmethyl) 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: (phenylmethyl) 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: benzyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-acetamido-3-(4-triflyloxyphenyl)propionic acid benzyl ester Formula: C19H18F3NO6S MolecularWeight: 445.40953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3NO6S/c1-13(24)23-17(18(25)28-12-15-5-3-2-4-6-15)11-14-7-9-16(10-8-14)29-30(26,27)19(20,21)22/h2-10,17H,11-12H2,1H3,(H,23,24)