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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate CAS Name: 3-hexoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-hexoxypropanoate Traditional Name: 3-hexoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCC

InChI

InChI=1S/C26H38N2O3/c1-3-5-7-9-10-12-22-20-27-26(28-21-22)23-13-15-24(16-14-23)31-25(29)17-19-30-18-11-8-6-4-2/h13-16,20-21H,3-12,17-19H2,1-2H3