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

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-10-11-12-20-32-25-18-16-24(17-19-25)28-29-21-26(22-30-28)33-27(31)15-13-14-23(3)5-2/h16-19,21-23H,4-15,20H2,1-3H3