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

Systemtic Name: [2-(4-decylpyrimidin-2-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(4-decylpyrimidin-2-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-decylpyrimidin-2-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-decylpyrimidin-2-yl)phenyl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C29H44N2O2/c1-4-6-7-8-9-10-11-12-18-25-22-23-30-29(31-25)26-19-14-15-20-27(26)33-28(32)21-16-13-17-24(3)5-2/h14-15,19-20,22-24H,4-13,16-18,21H2,1-3H3