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

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

CCCCCCCC(C)CCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCC(C)CCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C34H46N2O2/c1-4-6-8-10-11-13-27(3)15-24-33(37)38-32-22-20-29(21-23-32)31-25-35-34(36-26-31)30-18-16-28(17-19-30)14-12-9-7-5-2/h16-23,25-27H,4-15,24H2,1-3H3