[2,3-bis(fluoranyl)phenyl] 2-fluoranyl-4-(5-heptylpyrimidin-2-yl)octanoate

Systemtic Name: [2,3-bis(fluoranyl)phenyl] 2-fluoranyl-4-(5-heptylpyrimidin-2-yl)octanoate Openeye Name: (2,3-difluorophenyl) 2-fluoro-4-(5-heptylpyrimidin-2-yl)octanoate CAS Name: 2-fluoro-4-(5-heptyl-2-pyrimidinyl)octanoic acid (2,3-difluorophenyl) ester IUPAC Name: (2,3-difluorophenyl) 2-fluoro-4-(5-heptylpyrimidin-2-yl)octanoate Traditional Name: 2-fluoro-4-(5-heptylpyrimidin-2-yl)caprylic acid (2,3-difluorophenyl) ester Formula: C25H33F3N2O2 MolecularWeight: 450.53693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(CCCC)CC(C(=O)OC2=C(C(=CC=C2)F)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C(CCCC)CC(C(=O)OC2=C(C(=CC=C2)F)F)F

InChI

InChI=1S/C25H33F3N2O2/c1-3-5-7-8-9-11-18-16-29-24(30-17-18)19(12-6-4-2)15-21(27)25(31)32-22-14-10-13-20(26)23(22)28/h10,13-14,16-17,19,21H,3-9,11-12,15H2,1-2H3