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

Systemtic Name: [2-(4-undecylphenyl)pyrimidin-5-yl] 5-methylheptanoate Openeye Name: [2-(4-undecylphenyl)pyrimidin-5-yl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid [2-(4-undecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecylphenyl)pyrimidin-5-yl] 5-methylheptanoate Traditional Name: 5-methylenanthic acid [2-(4-undecylphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCC(C)CC

InChI

InChI=1S/C29H44N2O2/c1-4-6-7-8-9-10-11-12-13-16-25-18-20-26(21-19-25)29-30-22-27(23-31-29)33-28(32)17-14-15-24(3)5-2/h18-24H,4-17H2,1-3H3