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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-3-5-7-8-9-11-17-28-21-15-13-20(14-16-21)24-25-18-22(19-26-24)29-23(27)12-10-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3