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

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-hexoxypropanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-hexoxypropanoate CAS Name: 3-hexoxypropanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 3-hexoxypropanoate Traditional Name: 3-hexoxypropionic acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O4/c1-3-5-7-9-11-18-31-24-20-27-26(28-21-24)22-12-14-23(15-13-22)32-25(29)16-19-30-17-10-8-6-4-2/h12-15,20-21H,3-11,16-19H2,1-2H3