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

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-triflylphenyl)propionic acid methyl ester Formula: C16H20F3NO6S MolecularWeight: 411.39331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3NO6S/c1-15(2,3)26-14(22)20-12(13(21)25-4)9-10-5-7-11(8-6-10)27(23,24)16(17,18)19/h5-8,12H,9H2,1-4H3,(H,20,22)