4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate

Systemtic Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate Openeye Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(trifluoromethyl)prop-2-enyl]amino]butanoic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester IUPAC Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl (2S)-3-methyl-2-[2-(trifluoromethyl)prop-2-enoylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(trifluoromethyl)acryloyl]amino]butyric acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester Formula: C20H17F20NO3 MolecularWeight: 699.321944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(=C)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(=C)C(F)(F)F

InChI

InChI=1S/C20H17F20NO3/c1-7(2)9(41-10(42)8(3)13(23,24)25)11(43)44-6-4-5-12(21,22)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)40/h7,9H,3-6H2,1-2H3,(H,41,42)/t9-/m0/s1