[4-(5-octoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate CAS Name: 3-heptoxypropanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-heptoxypropanoate Traditional Name: 3-heptoxypropionic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCCC

InChI

InChI=1S/C28H42N2O4/c1-3-5-7-9-11-13-20-33-26-22-29-28(30-23-26)24-14-16-25(17-15-24)34-27(31)18-21-32-19-12-10-8-6-4-2/h14-17,22-23H,3-13,18-21H2,1-2H3