[2-(4-dodecylphenyl)pyrimidin-5-yl] hexanoate

Systemtic Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-dodecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-laurylphenyl)pyrimidin-5-yl] ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

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