[4-(2-octoxypyrimidin-5-yl)phenyl] 3-fluoranyl-2-methyl-hexanoate

Systemtic Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 3-fluoranyl-2-methyl-hexanoate Openeye Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 3-fluoro-2-methyl-hexanoate CAS Name: 3-fluoro-2-methylhexanoic acid [4-(2-octoxy-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 3-fluoro-2-methylhexanoate Traditional Name: 3-fluoro-2-methyl-hexanoic acid [4-(2-octoxypyrimidin-5-yl)phenyl] ester Formula: C25H35FN2O3 MolecularWeight: 430.555403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)F

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)F

InChI

InChI=1S/C25H35FN2O3/c1-4-6-7-8-9-10-16-30-25-27-17-21(18-28-25)20-12-14-22(15-13-20)31-24(29)19(3)23(26)11-5-2/h12-15,17-19,23H,4-11,16H2,1-3H3