6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenoxy]octan-2-one

Systemtic Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenoxy]octan-2-one Openeye Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenoxy]octan-2-one CAS Name: 6-methyl-1-[4-(5-octyl-2-pyrimidinyl)phenoxy]-2-octanone IUPAC Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenoxy]octan-2-one Traditional Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenoxy]octan-2-one Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(=O)CCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(=O)CCCC(C)CC

InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-9-10-13-23-19-28-27(29-20-23)24-15-17-26(18-16-24)31-21-25(30)14-11-12-22(3)5-2/h15-20,22H,4-14,21H2,1-3H3