[4-(5-hexoxypyrimidin-2-yl)phenyl] 3-propoxypropanoate

Systemtic Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 3-propoxypropanoate Openeye Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 3-propoxypropanoate CAS Name: 3-propoxypropanoic acid [4-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 3-propoxypropanoate Traditional Name: 3-propoxypropionic acid [4-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-3-5-6-7-14-27-20-16-23-22(24-17-20)18-8-10-19(11-9-18)28-21(25)12-15-26-13-4-2/h8-11,16-17H,3-7,12-15H2,1-2H3