[4-(5-hexylpyrimidin-2-yl)phenyl] 2-octoxypropanoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-octoxypropanoate CAS Name: 2-octoxypropanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Traditional Name: 2-octoxypropionic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-10-11-13-19-31-22(3)27(30)32-25-17-15-24(16-18-25)26-28-20-23(21-29-26)14-12-9-7-5-2/h15-18,20-22H,4-14,19H2,1-3H3