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

Systemtic Name: 1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-[6-(4-octoxyphenyl)pyridazin-3-yl]oxy-ethyl] pentanoate CAS Name: pentanoic acid 1-[[6-(4-octoxyphenyl)-3-pyridazinyl]oxy]propan-2-yl ester IUPAC Name: 1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[6-(4-octoxyphenyl)pyridazin-3-yl]oxy-ethyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O4/c1-4-6-8-9-10-11-19-30-23-15-13-22(14-16-23)24-17-18-25(28-27-24)31-20-21(3)32-26(29)12-7-5-2/h13-18,21H,4-12,19-20H2,1-3H3