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

Systemtic Name: [4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-dodecylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-dodecylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-laurylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C37H52N2O2 MolecularWeight: 556.82098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C37H52N2O2/c1-4-6-7-8-9-10-11-12-13-14-18-31-20-22-33(23-21-31)37-38-28-34(29-39-37)32-24-26-35(27-25-32)41-36(40)19-16-15-17-30(3)5-2/h20-30H,4-19H2,1-3H3