[4-(5-hexoxypyrimidin-2-yl)phenyl] pentanoate

Systemtic Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] pentanoate Openeye Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] pentanoate CAS Name: pentanoic acid [4-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCC

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCC

InChI

InChI=1S/C21H28N2O3/c1-3-5-7-8-14-25-19-15-22-21(23-16-19)17-10-12-18(13-11-17)26-20(24)9-6-4-2/h10-13,15-16H,3-9,14H2,1-2H3