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

Systemtic Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-hexoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-hexoxypyrimidin-2-yl)phenyl] ester Formula: C27H40N2O4 MolecularWeight: 456.6175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O4/c1-3-5-7-9-10-11-18-31-20-17-26(30)33-24-15-13-23(14-16-24)27-28-21-25(22-29-27)32-19-12-8-6-4-2/h13-16,21-22H,3-12,17-20H2,1-2H3