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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-hexoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-hexoxypropanoate Traditional Name: 2-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)C(C)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-4-6-8-10-11-13-22-19-27-25(28-20-22)23-14-16-24(17-15-23)31-26(29)21(3)30-18-12-9-7-5-2/h14-17,19-21H,4-13,18H2,1-3H3