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

Systemtic Name: 6-methyl-1-[2-(4-nonylpyrimidin-2-yl)phenyl]octan-1-one Openeye Name: 6-methyl-1-[2-(4-nonylpyrimidin-2-yl)phenyl]octan-1-one CAS Name: 6-methyl-1-[2-(4-nonyl-2-pyrimidinyl)phenyl]-1-octanone IUPAC Name: 6-methyl-1-[2-(4-nonylpyrimidin-2-yl)phenyl]octan-1-one Traditional Name: 6-methyl-1-[2-(4-nonylpyrimidin-2-yl)phenyl]octan-1-one Formula: C28H42N2O MolecularWeight: 422.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C28H42N2O/c1-4-6-7-8-9-10-11-17-24-21-22-29-28(30-24)26-19-14-13-18-25(26)27(31)20-15-12-16-23(3)5-2/h13-14,18-19,21-23H,4-12,15-17,20H2,1-3H3