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

Systemtic Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] hexanoate CAS Name: hexanoic acid 1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-9-10-12-13-23-15-17-24(18-16-23)27-28-19-25(20-29-27)31-21-22(3)32-26(30)14-11-7-5-2/h15-20,22H,4-14,21H2,1-3H3