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

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-10-11-12-13-15-17-27(31)32-26-22-29-28(30-23-26)25-20-18-24(19-21-25)16-14-8-6-4-2/h18-23H,3-17H2,1-2H3