[2-(4-decoxyphenyl)pyrimidin-5-yl] hexanoate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

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