pentan-2-yl (2S)-3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: pentan-2-yl (2S)-3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: 1-methylbutyl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: (2S)-3-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propionic acid 1-methylbutyl ester Formula: C16H20F3NO3 MolecularWeight: 331.33011

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(F)(F)F

Isomeric SMILES

CCCC(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(F)(F)F

InChI

InChI=1S/C16H20F3NO3/c1-3-7-11(2)23-14(21)13(20-15(22)16(17,18)19)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,20,22)/t11?,13-/m0/s1