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

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C32H42N2O2 MolecularWeight: 486.68808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C32H42N2O2/c1-4-6-7-8-9-13-26-15-17-28(18-16-26)32-33-23-29(24-34-32)27-19-21-30(22-20-27)36-31(35)14-11-10-12-25(3)5-2/h15-25H,4-14H2,1-3H3