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

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2-heptoxypropanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2-heptoxypropanoate CAS Name: 2-heptoxypropanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2-heptoxypropanoate Traditional Name: 2-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)C(C)OCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4/c1-4-6-8-10-12-14-20-33-26-21-29-27(30-22-26)24-15-17-25(18-16-24)34-28(31)23(3)32-19-13-11-9-7-5-2/h15-18,21-23H,4-14,19-20H2,1-3H3