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

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-hexoxypropanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-hexoxypropanoate CAS Name: 3-hexoxypropanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-hexoxypropanoate Traditional Name: 3-hexoxypropionic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

InChI

InChI=1S/C27H40N2O4/c1-3-5-7-9-10-12-19-32-25-21-28-27(29-22-25)23-13-15-24(16-14-23)33-26(30)17-20-31-18-11-8-6-4-2/h13-16,21-22H,3-12,17-20H2,1-2H3