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

Systemtic Name: butyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: butyl (2S)-2-(benzyloxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-triflyloxyphenyl)propionic acid butyl ester Formula: C22H24F3NO7S MolecularWeight: 503.48867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24F3NO7S/c1-2-3-13-31-20(27)19(26-21(28)32-15-17-7-5-4-6-8-17)14-16-9-11-18(12-10-16)33-34(29,30)22(23,24)25/h4-12,19H,2-3,13-15H2,1H3,(H,26,28)/t19-/m0/s1