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

Systemtic Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-hexoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-hexoxyphenyl)pyrimidin-5-yl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-16-28-21-14-12-20(13-15-21)24-25-17-22(18-26-24)29-23(27)11-9-10-19(3)5-2/h12-15,17-19H,4-11,16H2,1-3H3