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

Systemtic Name: [2-(4-octylpyrimidin-2-yl)phenyl] 2-methylbutanoate Openeye Name: [2-(4-octylpyrimidin-2-yl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-octylpyrimidin-2-yl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-octylpyrimidin-2-yl)phenyl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-9-10-13-19-16-17-24-22(25-19)20-14-11-12-15-21(20)27-23(26)18(3)5-2/h11-12,14-18H,4-10,13H2,1-3H3