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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C27H40N2O/c1-4-6-7-8-9-10-16-23-20-21-28-27(29-23)25-18-13-12-17-24(25)26(30)19-14-11-15-22(3)5-2/h12-13,17-18,20-22H,4-11,14-16,19H2,1-3H3