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

Systemtic Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate Openeye Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(4-hexoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(4-hexoxyphenyl)pyrimidin-5-yl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C)CC

InChI

InChI=1S/C21H28N2O3/c1-4-6-7-8-13-25-18-11-9-17(10-12-18)20-22-14-19(15-23-20)26-21(24)16(3)5-2/h9-12,14-16H,4-8,13H2,1-3H3