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

Systemtic Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylundecanoate Openeye Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylundecanoate CAS Name: 5-methylundecanoic acid [4-[2-(4-hexylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] 5-methylundecanoate Traditional Name: 5-methylundecanoic acid [4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C34H46N2O2 MolecularWeight: 514.74124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCC(C)CCCCCC

InChI

InChI=1S/C34H46N2O2/c1-4-6-8-10-13-27(3)14-12-16-33(37)38-32-23-21-29(22-24-32)31-25-35-34(36-26-31)30-19-17-28(18-20-30)15-11-9-7-5-2/h17-27H,4-16H2,1-3H3