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

Systemtic Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Openeye Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [4-[2-(4-octoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyloctanoate Traditional Name: 6-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)CCCCC(C)CC

Isomeric SMILES

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

InChI

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