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

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-17-29-22-15-13-21(14-16-22)25-26-18-23(19-27-25)30-24(28)12-10-11-20(3)5-2/h13-16,18-20H,4-12,17H2,1-3H3