[4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate CAS Name: 3-heptoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-heptoxypropanoate Traditional Name: 3-heptoxypropionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

Isomeric SMILES

CCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

InChI

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