ethyl (2S)-2-acetamido-3,3,3-tris(fluoranyl)-2-(4-methylpiperazin-1-yl)propanoate

Systemtic Name: ethyl (2S)-2-acetamido-3,3,3-tris(fluoranyl)-2-(4-methylpiperazin-1-yl)propanoate Openeye Name: ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-(4-methylpiperazin-1-yl)propanoate CAS Name: (2S)-2-acetamido-3,3,3-trifluoro-2-(4-methyl-1-piperazinyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-(4-methylpiperazin-1-yl)propanoate Traditional Name: (2S)-2-acetamido-3,3,3-trifluoro-2-(4-methylpiperazino)propionic acid ethyl ester Formula: C12H20F3N3O3 MolecularWeight: 311.30071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)C)N1CCN(CC1)C

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)C)N1CCN(CC1)C

InChI

InChI=1S/C12H20F3N3O3/c1-4-21-10(20)11(12(13,14)15,16-9(2)19)18-7-5-17(3)6-8-18/h4-8H2,1-3H3,(H,16,19)/t11-/m0/s1