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

Systemtic Name: hexan-2-yl (2S)-3-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: 1-methylpentyl (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 hexan-2-yl ester IUPAC Name: hexan-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-methylpentyl ester Formula: C17H22F3NO3 MolecularWeight: 345.35669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3NO3/c1-3-4-8-12(2)24-15(22)14(21-16(23)17(18,19)20)11-13-9-6-5-7-10-13/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3,(H,21,23)/t12?,14-/m0/s1