[2-(4-octylphenyl)pyrimidin-5-yl] 2-methylbutanoate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-methylbutanoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-9-10-11-19-12-14-20(15-13-19)22-24-16-21(17-25-22)27-23(26)18(3)5-2/h12-18H,4-11H2,1-3H3