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

Systemtic Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [4-[2-(4-amylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CC

InChI

InChI=1S/C30H38N2O2/c1-4-6-7-11-24-13-15-26(16-14-24)30-31-21-27(22-32-30)25-17-19-28(20-18-25)34-29(33)12-9-8-10-23(3)5-2/h13-23H,4-12H2,1-3H3