[2,3-bis(fluoranyl)-4-octanoyloxy-phenyl] 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-octanoyloxy-phenyl] 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (2,3-difluoro-4-octanoyloxy-phenyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrimidinyl)benzoic acid [2,3-difluoro-4-(1-oxooctoxy)phenyl] ester IUPAC Name: (2,3-difluoro-4-octanoyloxyphenyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-caprylyloxy-2,3-difluoro-phenyl) ester Formula: C31H35F3N2O4 MolecularWeight: 556.61581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F)F)F

InChI

InChI=1S/C31H35F3N2O4/c1-3-5-7-9-11-13-27(37)39-25-16-17-26(29(34)28(25)33)40-31(38)23-15-14-22(18-24(23)32)30-35-19-21(20-36-30)12-10-8-6-4-2/h14-20H,3-13H2,1-2H3