1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl butanoate

Systemtic Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl butanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] butanoate CAS Name: butanoic acid 1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-12-21-13-15-22(16-14-21)25-26-17-23(18-27-25)29-19-20(3)30-24(28)11-5-2/h13-18,20H,4-12,19H2,1-3H3