methyl (2S)-3,3,3-tris(fluoranyl)-2-(phenethylcarbamoylamino)-2-phenoxy-propanoate

Systemtic Name: methyl (2S)-3,3,3-tris(fluoranyl)-2-(phenethylcarbamoylamino)-2-phenoxy-propanoate Openeye Name: methyl (2S)-3,3,3-trifluoro-2-(phenethylcarbamoylamino)-2-phenoxy-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-[[oxo-(phenethylamino)methyl]amino]-2-phenoxypropanoic acid methyl ester IUPAC Name: methyl (2S)-3,3,3-trifluoro-2-(phenethylcarbamoylamino)-2-phenoxypropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(phenethylcarbamoylamino)-2-phenoxy-propionic acid methyl ester Formula: C19H19F3N2O4 MolecularWeight: 396.36037

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)F)(NC(=O)NCCC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@](C(F)(F)F)(NC(=O)NCCC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C19H19F3N2O4/c1-27-16(25)18(19(20,21)22,28-15-10-6-3-7-11-15)24-17(26)23-13-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,23,24,26)/t18-/m0/s1