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

Systemtic Name: [2-(4-undecylphenyl)pyrimidin-5-yl] decanoate Openeye Name: [2-(4-undecylphenyl)pyrimidin-5-yl] decanoate CAS Name: decanoic acid [2-(4-undecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecylphenyl)pyrimidin-5-yl] decanoate Traditional Name: capric acid [2-(4-undecylphenyl)pyrimidin-5-yl] ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O2/c1-3-5-7-9-11-12-14-15-17-19-27-21-23-28(24-22-27)31-32-25-29(26-33-31)35-30(34)20-18-16-13-10-8-6-4-2/h21-26H,3-20H2,1-2H3