[2-(5-octylpyrimidin-4-yl)phenyl] decanoate

Systemtic Name: [2-(5-octylpyrimidin-4-yl)phenyl] decanoate Openeye Name: [2-(5-octylpyrimidin-4-yl)phenyl] decanoate CAS Name: decanoic acid [2-(5-octyl-4-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-octylpyrimidin-4-yl)phenyl] decanoate Traditional Name: capric acid [2-(5-octylpyrimidin-4-yl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2CCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=CC=C1C2=NC=NC=C2CCCCCCCC

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-11-13-15-21-27(31)32-26-20-17-16-19-25(26)28-24(22-29-23-30-28)18-14-12-10-8-6-4-2/h16-17,19-20,22-23H,3-15,18,21H2,1-2H3