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

Systemtic Name: [4-[2-(4-tridecylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate Openeye Name: [4-[2-(4-tridecylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate CAS Name: 7-methylnonanoic acid [4-[2-(4-tridecylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-tridecylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate Traditional Name: 7-methylpelargonic acid [4-[2-(4-tridecylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C39H56N2O2 MolecularWeight: 584.87414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CC

InChI

InChI=1S/C39H56N2O2/c1-4-6-7-8-9-10-11-12-13-14-17-20-33-22-24-35(25-23-33)39-40-30-36(31-41-39)34-26-28-37(29-27-34)43-38(42)21-18-15-16-19-32(3)5-2/h22-32H,4-21H2,1-3H3