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

Systemtic Name: [2,3-bis(fluoranyl)-4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluoranyloctanoate Openeye Name: [2,3-difluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluorooctanoate CAS Name: 2-fluorooctanoic acid [2,3-difluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluorooctanoate Traditional Name: 2-fluorocaprylic acid [2,3-difluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H33F3N2O2 MolecularWeight: 450.53693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OC(=O)C(CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OC(=O)C(CCCCCC)F)F)F

InChI

InChI=1S/C25H33F3N2O2/c1-3-5-7-9-10-12-18-16-29-24(30-17-18)19-14-15-21(23(28)22(19)27)32-25(31)20(26)13-11-8-6-4-2/h14-17,20H,3-13H2,1-2H3