tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-triflyloxyphenyl)propionic acid tert-butyl ester Formula: C19H26F3NO7S MolecularWeight: 469.47245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26F3NO7S/c1-17(2,3)28-15(24)14(23-16(25)29-18(4,5)6)11-12-7-9-13(10-8-12)30-31(26,27)19(20,21)22/h7-10,14H,11H2,1-6H3,(H,23,25)