[4-(5-hexylpyrimidin-2-yl)phenyl] 3-methoxy-2-methyl-propanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-methoxy-2-methyl-propanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-methoxy-2-methyl-propanoate CAS Name: 3-methoxy-2-methylpropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-methoxy-2-methylpropanoate Traditional Name: 3-methoxy-2-methyl-propionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COC

InChI

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