[2-(4-dodecylpyrimidin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(4-dodecylpyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-dodecylpyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-dodecylpyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-laurylpyrimidin-2-yl)phenyl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C29H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-17-25-22-23-30-29(31-25)26-18-15-16-19-27(26)33-28(32)21-20-24(3)5-2/h15-16,18-19,22-24H,4-14,17,20-21H2,1-3H3