[4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate

Systemtic Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate Openeye Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate CAS Name: 8-methyldecanoic acid [4-[2-(4-nonoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate Traditional Name: 8-methylcapric acid [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CC

InChI

InChI=1S/C36H50N2O3/c1-4-6-7-8-9-12-15-26-40-33-22-20-31(21-23-33)36-37-27-32(28-38-36)30-18-24-34(25-19-30)41-35(39)17-14-11-10-13-16-29(3)5-2/h18-25,27-29H,4-17,26H2,1-3H3