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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-methylbutanoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-8-9-10-18-11-13-19(14-12-18)21-23-15-20(16-24-21)26-22(25)17(3)5-2/h11-17H,4-10H2,1-3H3