[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecakis(fluoranyl)-2-methyl-dodecan-2-yl] 4-[(4-bromophenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: [5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecakis(fluoranyl)-2-methyl-dodecan-2-yl] 4-[(4-bromophenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1,1-dimethyl-undecyl) 4-[(4-bromophenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(4-bromoanilino)-oxomethyl]-1-piperidinecarboxylic acid (5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-2-methyldodecan-2-yl) ester IUPAC Name: (5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-2-methyldodecan-2-yl) 4-[(4-bromophenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(4-bromophenyl)carbamoyl]piperidine-1-carboxylic acid (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1,1-dimethyl-undecyl) ester Formula: C26H24BrF17N2O3 MolecularWeight: 815.357214

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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)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)Br

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(CC1)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C26H24BrF17N2O3/c1-18(2,49-17(48)46-11-7-13(8-12-46)16(47)45-15-5-3-14(27)4-6-15)9-10-19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)44/h3-6,13H,7-12H2,1-2H3,(H,45,47)