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

Systemtic Name: 1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl heptanoate Openeye Name: [1-methyl-2-[6-(4-octoxyphenyl)pyridazin-3-yl]oxy-ethyl] heptanoate CAS Name: heptanoic acid 1-[[6-(4-octoxyphenyl)-3-pyridazinyl]oxy]propan-2-yl ester IUPAC Name: 1-[6-(4-octoxyphenyl)pyridazin-3-yl]oxypropan-2-yl heptanoate Traditional Name: enanthic acid [1-methyl-2-[6-(4-octoxyphenyl)pyridazin-3-yl]oxy-ethyl] ester Formula: C28H42N2O4 MolecularWeight: 470.64408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4/c1-4-6-8-10-11-13-21-32-25-17-15-24(16-18-25)26-19-20-27(30-29-26)33-22-23(3)34-28(31)14-12-9-7-5-2/h15-20,23H,4-14,21-22H2,1-3H3