(2S)-1-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecakis(fluoranyl)-2-methyl-dodecan-2-yl]oxycarbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecakis(fluoranyl)-2-methyl-dodecan-2-yl]oxycarbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1,1-dimethyl-undecoxy)carbonylpyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-2-methyldodecan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-2-methyldodecan-2-yl)oxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1,1-dimethyl-undecoxy)carbonylproline Formula: C19H18F17NO4 MolecularWeight: 647.323374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C19H18F17NO4/c1-11(2,41-10(40)37-7-3-4-8(37)9(38)39)5-6-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8H,3-7H2,1-2H3,(H,38,39)/t8-/m0/s1