1-[2-fluoranyl-4-(5-octylpyrimidin-2-yl)phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[2-fluoranyl-4-(5-octylpyrimidin-2-yl)phenoxy]propan-2-yl pentanoate Openeye Name: [2-[2-fluoro-4-(5-octylpyrimidin-2-yl)phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[2-fluoro-4-(5-octyl-2-pyrimidinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(5-octylpyrimidin-2-yl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[2-fluoro-4-(5-octylpyrimidin-2-yl)phenoxy]-1-methyl-ethyl] ester Formula: C26H37FN2O3 MolecularWeight: 444.581983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

InChI

InChI=1S/C26H37FN2O3/c1-4-6-8-9-10-11-12-21-17-28-26(29-18-21)22-14-15-24(23(27)16-22)31-19-20(3)32-25(30)13-7-5-2/h14-18,20H,4-13,19H2,1-3H3