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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic 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)CCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-18-30-23-16-14-22(15-17-23)26-27-19-24(20-28-26)31-25(29)13-11-12-21(3)5-2/h14-17,19-21H,4-13,18H2,1-3H3