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

Systemtic Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Openeye Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-[2-(4-octoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)CCCCCC

InChI

InChI=1S/C33H44N2O3/c1-4-6-8-10-11-13-23-37-30-19-17-28(18-20-30)32-34-24-29(25-35-32)27-15-21-31(22-16-27)38-33(36)26(3)14-12-9-7-5-2/h15-22,24-26H,4-14,23H2,1-3H3