[2-(4-octoxyphenyl)pyrimidin-5-yl] octanoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

InChI

InChI=1S/C26H38N2O3/c1-3-5-7-9-11-13-19-30-23-17-15-22(16-18-23)26-27-20-24(21-28-26)31-25(29)14-12-10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3