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

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

Systemtic Name:1-[2-(4-dodecylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one
Openeye Name:1-[2-(4-dodecylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one
CAS Name:1-[2-(4-dodecyl-2-pyrimidinyl)phenyl]-6-methyl-1-octanone
IUPAC Name:1-[2-(4-dodecylpyrimidin-2-yl)phenyl]-6-methyloctan-1-one
Traditional Name:1-[2-(4-laurylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one
Formula: C31H48N2O
MolecularWeight: 464.72562
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC


Isomeric SMILES

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC


InChI

InChI=1S/C31H48N2O/c1-4-6-7-8-9-10-11-12-13-14-20-27-24-25-32-31(33-27)29-22-17-16-21-28(29)30(34)23-18-15-19-26(3)5-2/h16-17,21-22,24-26H,4-15,18-20,23H2,1-3H3


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