1-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl octanoate

Systemtic Name: 1-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl octanoate Openeye Name: [1-methyl-2-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]ethyl] octanoate CAS Name: octanoic acid 1-[4-[4-(5-octoxy-2-pyrimidinyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]propan-2-yl octanoate Traditional Name: caprylic acid [1-methyl-2-[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenoxy]ethyl] ester Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C35H48N2O4/c1-4-6-8-10-12-14-24-39-33-25-36-35(37-26-33)31-18-16-29(17-19-31)30-20-22-32(23-21-30)40-27-28(3)41-34(38)15-13-11-9-7-5-2/h16-23,25-26,28H,4-15,24,27H2,1-3H3