[2-(2-octylphenyl)pyrimidin-5-yl] octanoate

Systemtic Name: [2-(2-octylphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(2-octylphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(2-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(2-octylphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(2-octylphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2=NC=C(C=N2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2=NC=C(C=N2)OC(=O)CCCCCCC

InChI

InChI=1S/C26H38N2O2/c1-3-5-7-9-11-12-16-22-17-14-15-18-24(22)26-27-20-23(21-28-26)30-25(29)19-13-10-8-6-4-2/h14-15,17-18,20-21H,3-13,16,19H2,1-2H3