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

Systemtic Name: [2-(4-heptylpyrimidin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(4-heptylpyrimidin-2-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-heptylpyrimidin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-heptylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-8-9-12-18-15-16-23-21(24-18)19-13-10-11-14-20(19)26-22(25)17(3)5-2/h10-11,13-17H,4-9,12H2,1-3H3