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

Systemtic Name: 6-methyl-1-[2-(4-undecylpyridin-2-yl)phenyl]octan-1-one Openeye Name: 6-methyl-1-[2-(4-undecyl-2-pyridyl)phenyl]octan-1-one CAS Name: 6-methyl-1-[2-(4-undecyl-2-pyridinyl)phenyl]-1-octanone IUPAC Name: 6-methyl-1-[2-(4-undecylpyridin-2-yl)phenyl]octan-1-one Traditional Name: 6-methyl-1-[2-(4-undecyl-2-pyridyl)phenyl]octan-1-one Formula: C31H47NO MolecularWeight: 449.71098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C31H47NO/c1-4-6-7-8-9-10-11-12-13-19-27-23-24-32-30(25-27)28-20-15-16-21-29(28)31(33)22-17-14-18-26(3)5-2/h15-16,20-21,23-26H,4-14,17-19,22H2,1-3H3