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

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-ethoxypropanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCC

InChI

InChI=1S/C22H30N2O4/c1-3-5-6-7-8-14-27-20-16-23-22(24-17-20)18-9-11-19(12-10-18)28-21(25)13-15-26-4-2/h9-12,16-17H,3-8,13-15H2,1-2H3