[2-(4-dodecylphenyl)pyrimidin-5-yl] 6-methyloctanoate

Systemtic Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] 6-methyloctanoate Openeye Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(4-dodecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(4-laurylphenyl)pyrimidin-5-yl] ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C31H48N2O2/c1-4-6-7-8-9-10-11-12-13-14-18-27-20-22-28(23-21-27)31-32-24-29(25-33-31)35-30(34)19-16-15-17-26(3)5-2/h20-26H,4-19H2,1-3H3