[4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoranyl-2-methyl-heptanoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoranyl-2-methyl-heptanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoro-2-methyl-heptanoate CAS Name: 3-fluoro-2-methylheptanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoro-2-methylheptanoate Traditional Name: 3-fluoro-2-methyl-enanthic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C28H41FN2O2 MolecularWeight: 456.635743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCC)F

InChI

InChI=1S/C28H41FN2O2/c1-4-6-8-9-10-11-12-13-14-23-20-30-27(31-21-23)24-16-18-25(19-17-24)33-28(32)22(3)26(29)15-7-5-2/h16-22,26H,4-15H2,1-3H3