[2-(4-undecylpyrimidin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(4-undecylpyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-undecylpyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-undecylpyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-undecylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C28H42N2O2/c1-4-6-7-8-9-10-11-12-13-16-24-21-22-29-28(30-24)25-17-14-15-18-26(25)32-27(31)20-19-23(3)5-2/h14-15,17-18,21-23H,4-13,16,19-20H2,1-3H3