[4-(5-hexylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic 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)CCOCC

Isomeric SMILES

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

InChI

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