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

Systemtic Name: ethyl 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: ethyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-[(phenylmethyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-triflyloxyphenyl)propionic acid ethyl ester Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3NO5S/c1-2-27-18(24)17(23-13-15-6-4-3-5-7-15)12-14-8-10-16(11-9-14)28-29(25,26)19(20,21)22/h3-11,17,23H,2,12-13H2,1H3