[4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate

Systemtic Name: [4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate Openeye Name: [4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate CAS Name: 7-methylnonanoic acid [4-[2-(4-tridecoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate Traditional Name: 7-methylpelargonic acid [4-[2-(4-tridecoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C39H56N2O3 MolecularWeight: 600.87354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CC

InChI

InChI=1S/C39H56N2O3/c1-4-6-7-8-9-10-11-12-13-14-18-29-43-36-25-23-34(24-26-36)39-40-30-35(31-41-39)33-21-27-37(28-22-33)44-38(42)20-17-15-16-19-32(3)5-2/h21-28,30-32H,4-20,29H2,1-3H3