[4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate

Systemtic Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate Openeye Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate CAS Name: 8-methyldodecanoic acid [4-[2-(4-heptoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldodecanoate Traditional Name: 8-methyllauric acid [4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CCCC

InChI

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