1-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 5-oxidanylidenehexanoate

Systemtic Name: 1-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 5-oxidanylidenehexanoate Openeye Name: [2-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxy-1-methyl-ethyl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid 1-[[2-(4-heptoxyphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [2-[2-(4-heptoxyphenyl)pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCCC(=O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OC(=O)CCCC(=O)C

InChI

InChI=1S/C26H36N2O5/c1-4-5-6-7-8-16-31-23-14-12-22(13-15-23)26-27-17-24(18-28-26)32-19-21(3)33-25(30)11-9-10-20(2)29/h12-15,17-18,21H,4-11,16,19H2,1-3H3