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

Systemtic Name: [2-(4-undecylphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-undecylphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-undecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecylphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-undecylphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-8-9-10-11-12-14-15-23-17-19-24(20-18-23)27-28-21-25(22-29-27)31-26(30)16-13-6-4-2/h17-22H,3-16H2,1-2H3