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

Systemtic Name: [2-(4-dodecylpyrimidin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(4-dodecylpyrimidin-2-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-dodecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-dodecylpyrimidin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-laurylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-9-10-11-12-13-14-17-23-20-21-28-26(29-23)24-18-15-16-19-25(24)31-27(30)22(3)5-2/h15-16,18-22H,4-14,17H2,1-3H3