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

Systemtic Name: [2-(4-undecylphenyl)pyrimidin-5-yl] undecanoate Openeye Name: [2-(4-undecylphenyl)pyrimidin-5-yl] undecanoate CAS Name: undecanoic acid [2-(4-undecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecylphenyl)pyrimidin-5-yl] undecanoate Traditional Name: undecanoic acid [2-(4-undecylphenyl)pyrimidin-5-yl] ester Formula: C32H50N2O2 MolecularWeight: 494.7516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O2/c1-3-5-7-9-11-13-14-16-18-20-28-22-24-29(25-23-28)32-33-26-30(27-34-32)36-31(35)21-19-17-15-12-10-8-6-4-2/h22-27H,3-21H2,1-2H3