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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-3-5-7-9-11-13-20-32-21-19-27(31)33-26-17-15-25(16-18-26)28-29-22-24(23-30-28)14-12-10-8-6-4-2/h15-18,22-23H,3-14,19-21H2,1-2H3