[2-fluoranyl-4-[5-(2-fluoranyloctoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate

Systemtic Name: [2-fluoranyl-4-[5-(2-fluoranyloctoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate Openeye Name: [2-fluoro-4-[5-(2-fluorooctoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [2-fluoro-4-[5-(2-fluorooctoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-fluoro-4-[5-(2-fluorooctoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [2-fluoro-4-[5-(2-fluorooctoxy)pyrimidin-2-yl]phenyl] ester Formula: C26H36F2N2O3 MolecularWeight: 462.572446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C(C)CCCCC)F)F

Isomeric SMILES

CCCCCCC(COC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C(C)CCCCC)F)F

InChI

InChI=1S/C26H36F2N2O3/c1-4-6-8-10-12-21(27)18-32-22-16-29-25(30-17-22)20-13-14-24(23(28)15-20)33-26(31)19(3)11-9-7-5-2/h13-17,19,21H,4-12,18H2,1-3H3