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

Systemtic Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenyl]octan-1-one Openeye Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenyl]octan-1-one CAS Name: 6-methyl-1-[4-(5-octyl-2-pyrimidinyl)phenyl]-1-octanone IUPAC Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenyl]octan-1-one Traditional Name: 6-methyl-1-[4-(5-octylpyrimidin-2-yl)phenyl]octan-1-one Formula: C27H40N2O MolecularWeight: 408.6193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)CCCCC(C)CC

InChI

InChI=1S/C27H40N2O/c1-4-6-7-8-9-10-14-23-20-28-27(29-21-23)25-18-16-24(17-19-25)26(30)15-12-11-13-22(3)5-2/h16-22H,4-15H2,1-3H3