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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46N2O2/c1-3-5-7-9-10-11-12-13-15-17-33(37)38-32-24-22-29(23-25-32)31-26-35-34(36-27-31)30-20-18-28(19-21-30)16-14-8-6-4-2/h18-27H,3-17H2,1-2H3