methyl 3-[4-[2,3-bis(trifluoromethyl)phenyl]-3-(methylamino)-2-(2-oxidanylideneethyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-[2,3-bis(trifluoromethyl)phenyl]-3-(methylamino)-2-(2-oxidanylideneethyl)phenyl]propanoate Openeye Name: methyl 3-[4-[2,3-bis(trifluoromethyl)phenyl]-3-(methylamino)-2-(2-oxoethyl)phenyl]propanoate CAS Name: 3-[4-[2,3-bis(trifluoromethyl)phenyl]-3-(methylamino)-2-(2-oxoethyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2,3-bis(trifluoromethyl)phenyl]-3-(methylamino)-2-(2-oxoethyl)phenyl]propanoate Traditional Name: 3-[4-[2,3-bis(trifluoromethyl)phenyl]-2-(2-ketoethyl)-3-(methylamino)phenyl]propionic acid methyl ester Formula: C21H19F6NO3 MolecularWeight: 447.370879

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1CC=O)CCC(=O)OC)C2=C(C(=CC=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CNC1=C(C=CC(=C1CC=O)CCC(=O)OC)C2=C(C(=CC=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H19F6NO3/c1-28-19-13(10-11-29)12(7-9-17(30)31-2)6-8-15(19)14-4-3-5-16(20(22,23)24)18(14)21(25,26)27/h3-6,8,11,28H,7,9-10H2,1-2H3