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

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O2/c1-4-6-8-9-10-12-26-14-16-28(17-15-26)32-33-23-29(24-34-32)27-18-20-30(21-19-27)36-31(35)22-13-25(3)11-7-5-2/h14-21,23-25H,4-13,22H2,1-3H3