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

Systemtic Name: [2-(4-hexylpyrimidin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(4-hexylpyrimidin-2-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-hexylpyrimidin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-hexylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C21H28N2O2/c1-4-6-7-8-11-17-14-15-22-20(23-17)18-12-9-10-13-19(18)25-21(24)16(3)5-2/h9-10,12-16H,4-8,11H2,1-3H3