1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 4-oxidanylidenepentanoate

Systemtic Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 4-oxidanylidenepentanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid 1-[[2-(4-octylphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)pyrimidin-5-yl]oxypropan-2-yl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [1-methyl-2-[2-(4-octylphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCC(=O)C

InChI

InChI=1S/C26H36N2O4/c1-4-5-6-7-8-9-10-22-12-14-23(15-13-22)26-27-17-24(18-28-26)31-19-21(3)32-25(30)16-11-20(2)29/h12-15,17-18,21H,4-11,16,19H2,1-3H3