[2-(4-nonoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC(C)CC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-11-18-30-23-15-13-22(14-16-23)26-27-19-24(20-28-26)31-25(29)17-12-21(3)5-2/h13-16,19-21H,4-12,17-18H2,1-3H3