[4-(5-octylpyrimidin-2-yl)phenyl] octanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] octanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C26H38N2O2/c1-3-5-7-9-11-12-14-22-20-27-26(28-21-22)23-16-18-24(19-17-23)30-25(29)15-13-10-8-6-4-2/h16-21H,3-15H2,1-2H3