4-methyl-1-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-decan-5-one

Systemtic Name: 4-methyl-1-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-decan-5-one Openeye Name: 4-methyl-1-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-decan-5-one CAS Name: 4-methyl-1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]-5-decanone IUPAC Name: 4-methyl-1-[2-(4-octylphenyl)pyrimidin-5-yl]oxydecan-5-one Traditional Name: 4-methyl-1-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-decan-5-one Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCC(C)C(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCC(C)C(=O)CCCCC

InChI

InChI=1S/C29H44N2O2/c1-4-6-8-9-10-12-15-25-17-19-26(20-18-25)29-30-22-27(23-31-29)33-21-13-14-24(3)28(32)16-11-7-5-2/h17-20,22-24H,4-16,21H2,1-3H3