ethyl (2S)-3,3,3-tris(fluoranyl)-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate Openeye Name: ethyl (2S)-3,3,3-trifluoro-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate CAS Name: (2S)-3,3,3-trifluoro-2-[[oxo-(2-pyrimidinylamino)methyl]amino]-2-phenoxypropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3,3-trifluoro-2-phenoxy-2-(pyrimidin-2-ylcarbamoylamino)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-phenoxy-2-(2-pyrimidylcarbamoylamino)propionic acid ethyl ester Formula: C16H15F3N4O4 MolecularWeight: 384.30991

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC=CC=N1)OC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)NC1=NC=CC=N1)OC2=CC=CC=C2

InChI

InChI=1S/C16H15F3N4O4/c1-2-26-12(24)15(16(17,18)19,27-11-7-4-3-5-8-11)23-14(25)22-13-20-9-6-10-21-13/h3-10H,2H2,1H3,(H2,20,21,22,23,25)/t15-/m0/s1