4-[4-(5-octoxypyrimidin-2-yl)phenoxy]butan-2-yl hexanoate

Systemtic Name: 4-[4-(5-octoxypyrimidin-2-yl)phenoxy]butan-2-yl hexanoate Openeye Name: [1-methyl-3-[4-(5-octoxypyrimidin-2-yl)phenoxy]propyl] hexanoate CAS Name: hexanoic acid 4-[4-(5-octoxy-2-pyrimidinyl)phenoxy]butan-2-yl ester IUPAC Name: 4-[4-(5-octoxypyrimidin-2-yl)phenoxy]butan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-3-[4-(5-octoxypyrimidin-2-yl)phenoxy]propyl] ester Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)OC(=O)CCCCC

InChI

InChI=1S/C28H42N2O4/c1-4-6-8-9-10-12-19-32-26-21-29-28(30-22-26)24-14-16-25(17-15-24)33-20-18-23(3)34-27(31)13-11-7-5-2/h14-17,21-23H,4-13,18-20H2,1-3H3