[2-fluoranyl-4-(4-phenylpyrimidin-2-yl)phenyl] 2-methyloctanoate

Systemtic Name: [2-fluoranyl-4-(4-phenylpyrimidin-2-yl)phenyl] 2-methyloctanoate Openeye Name: [2-fluoro-4-(4-phenylpyrimidin-2-yl)phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [2-fluoro-4-(4-phenyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(4-phenylpyrimidin-2-yl)phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [2-fluoro-4-(4-phenylpyrimidin-2-yl)phenyl] ester Formula: C25H27FN2O2 MolecularWeight: 406.492483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=C(C=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=C(C=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3)F

InChI

InChI=1S/C25H27FN2O2/c1-3-4-5-7-10-18(2)25(29)30-23-14-13-20(17-21(23)26)24-27-16-15-22(28-24)19-11-8-6-9-12-19/h6,8-9,11-18H,3-5,7,10H2,1-2H3