ethyl (2S)-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)-2-[[3-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: ethyl (2S)-2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)-2-[[3-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: ethyl (2S)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate CAS Name: (2S)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate Traditional Name: (2S)-2-(carbethoxyamino)-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propionic acid ethyl ester Formula: C15H16F6N2O4 MolecularWeight: 402.288959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C15H16F6N2O4/c1-3-26-11(24)13(15(19,20)21,23-12(25)27-4-2)22-10-7-5-6-9(8-10)14(16,17)18/h5-8,22H,3-4H2,1-2H3,(H,23,25)/t13-/m0/s1