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

Systemtic Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Openeye Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

InChI

InChI=1S/C33H44N2O2/c1-4-6-8-10-11-13-15-27-16-18-29(19-17-27)32-34-24-30(25-35-32)28-20-22-31(23-21-28)37-33(36)26(3)14-12-9-7-5-2/h16-26H,4-15H2,1-3H3