[4-[2-(4-undecylphenyl)pyrimidin-5-yl]phenyl] 9-methylundecanoate

Systemtic Name: [4-[2-(4-undecylphenyl)pyrimidin-5-yl]phenyl] 9-methylundecanoate Openeye Name: [4-[2-(4-undecylphenyl)pyrimidin-5-yl]phenyl] 9-methylundecanoate CAS Name: 9-methylundecanoic acid [4-[2-(4-undecylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-undecylphenyl)pyrimidin-5-yl]phenyl] 9-methylundecanoate Traditional Name: 9-methylundecanoic acid [4-[2-(4-undecylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C39H56N2O2 MolecularWeight: 584.87414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCCC(C)CC

InChI

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