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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-octoxypropanoate CAS Name: 2-octoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-octoxypropanoate Traditional Name: 2-octoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-10-12-14-20-32-23(3)28(31)33-26-18-16-25(17-19-26)27-29-21-24(22-30-27)15-13-11-9-7-5-2/h16-19,21-23H,4-15,20H2,1-3H3