[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldecanoate

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldecanoate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldecanoate CAS Name: 6-methyldecanoic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 6-methyldecanoate Traditional Name: 6-methylcapric acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC(C)CCCC

InChI

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