4-[2-(4-octylphenyl)pyrimidin-5-yl]oxybutan-2-yl hexanoate

Systemtic Name: 4-[2-(4-octylphenyl)pyrimidin-5-yl]oxybutan-2-yl hexanoate Openeye Name: [1-methyl-3-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-propyl] hexanoate CAS Name: hexanoic acid 4-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]butan-2-yl ester IUPAC Name: 4-[2-(4-octylphenyl)pyrimidin-5-yl]oxybutan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-3-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-propyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C)OC(=O)CCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-9-10-12-13-24-15-17-25(18-16-24)28-29-21-26(22-30-28)32-20-19-23(3)33-27(31)14-11-7-5-2/h15-18,21-23H,4-14,19-20H2,1-3H3