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

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Traditional Name: 2-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)C(C)CCCCCC

Isomeric SMILES

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

InChI

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