1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl 5-oxidanylidenehexanoate

Systemtic Name: 1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl 5-oxidanylidenehexanoate Openeye Name: [1-methyl-2-[6-(4-octoxyphenyl)pyridazin-3-yl]oxy-ethyl] 5-oxohexanoate CAS Name: 5-oxohexanoic acid 1-[[6-(4-octoxyphenyl)-3-pyridazinyl]oxy]propan-2-yl ester IUPAC Name: 1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [1-methyl-2-[6-(4-octoxyphenyl)pyridazin-3-yl]oxy-ethyl] ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(C=C2)OCC(C)OC(=O)CCCC(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(C=C2)OCC(C)OC(=O)CCCC(=O)C

InChI

InChI=1S/C27H38N2O5/c1-4-5-6-7-8-9-19-32-24-15-13-23(14-16-24)25-17-18-26(29-28-25)33-20-22(3)34-27(31)12-10-11-21(2)30/h13-18,22H,4-12,19-20H2,1-3H3