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

Systemtic Name: methyl 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: methyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-triflyloxyphenyl)propionic acid methyl ester Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO5S/c1-26-17(23)16(22-12-14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)27-28(24,25)18(19,20)21/h2-10,16,22H,11-12H2,1H3