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

Systemtic Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl heptanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] heptanoate CAS Name: heptanoic acid 1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl heptanoate Traditional Name: enanthic acid [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] 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)OCC(C)OC(=O)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-11-12-14-24-16-18-25(19-17-24)28-29-20-26(21-30-28)32-22-23(3)33-27(31)15-13-9-7-5-2/h16-21,23H,4-15,22H2,1-3H3