[2-(4-nonylpyrimidin-2-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(4-nonylpyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-nonylpyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-nonylpyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-nonylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C28H42N2O2/c1-4-6-7-8-9-10-11-17-24-21-22-29-28(30-24)25-18-13-14-19-26(25)32-27(31)20-15-12-16-23(3)5-2/h13-14,18-19,21-23H,4-12,15-17,20H2,1-3H3