tert-butyl 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: tert-butyl 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: tert-butyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-triflyloxyphenyl)propionic acid tert-butyl ester Formula: C21H24F3NO5S MolecularWeight: 459.47917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NCC2=CC=CC=C2

InChI

InChI=1S/C21H24F3NO5S/c1-20(2,3)29-19(26)18(25-14-16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)30-31(27,28)21(22,23)24/h4-12,18,25H,13-14H2,1-3H3