propan-2-yl 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: propan-2-yl 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: isopropyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-triflyloxyphenyl)propionic acid isopropyl ester Formula: C20H22F3NO5S MolecularWeight: 445.45259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3NO5S/c1-14(2)28-19(25)18(24-13-16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)29-30(26,27)20(21,22)23/h3-11,14,18,24H,12-13H2,1-2H3