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

Systemtic Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate Openeye Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate CAS Name: 4-methylundecanoic acid [4-[2-(4-octoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] 4-methylundecanoate Traditional Name: 4-methylundecanoic acid [4-[2-(4-octoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C36H50N2O3 MolecularWeight: 558.7938

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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)CCC(C)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O3/c1-4-6-8-10-12-14-26-40-33-21-19-31(20-22-33)36-37-27-32(28-38-36)30-17-23-34(24-18-30)41-35(39)25-16-29(3)15-13-11-9-7-5-2/h17-24,27-29H,4-16,25-26H2,1-3H3