[4-(5-heptylpyrimidin-2-yl)phenyl] 3-methoxypropanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-methoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-methoxypropanoate CAS Name: 3-methoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-methoxypropanoate Traditional Name: 3-methoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOC

InChI

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