ethyl (2S)-3,3,3-tris(fluoranyl)-2-[(3-fluorophenyl)amino]-2-(pyridin-3-ylcarbonylamino)propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-[(3-fluorophenyl)amino]-2-(pyridin-3-ylcarbonylamino)propanoate Openeye Name: ethyl (2S)-3,3,3-trifluoro-2-(3-fluoroanilino)-2-(pyridine-3-carbonylamino)propanoate CAS Name: (2S)-3,3,3-trifluoro-2-(3-fluoroanilino)-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3,3-trifluoro-2-(3-fluoroanilino)-2-(pyridine-3-carbonylamino)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(3-fluoroanilino)-2-nicotinamido-propionic acid ethyl ester Formula: C17H15F4N3O3 MolecularWeight: 385.312913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)F)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC1=CC(=CC=C1)F)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H15F4N3O3/c1-2-27-15(26)16(17(19,20)21,23-13-7-3-6-12(18)9-13)24-14(25)11-5-4-8-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)/t16-/m0/s1