[4-(6-octylpyridazin-3-yl)phenyl] 3-fluoranyl-2-methyl-octanoate

Systemtic Name: [4-(6-octylpyridazin-3-yl)phenyl] 3-fluoranyl-2-methyl-octanoate Openeye Name: [4-(6-octylpyridazin-3-yl)phenyl] 3-fluoro-2-methyl-octanoate CAS Name: 3-fluoro-2-methyloctanoic acid [4-(6-octyl-3-pyridazinyl)phenyl] ester IUPAC Name: [4-(6-octylpyridazin-3-yl)phenyl] 3-fluoro-2-methyloctanoate Traditional Name: 3-fluoro-2-methyl-caprylic acid [4-(6-octylpyridazin-3-yl)phenyl] ester Formula: C27H39FN2O2 MolecularWeight: 442.609163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCCC)F

Isomeric SMILES

CCCCCCCCC1=NN=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CCCCC)F

InChI

InChI=1S/C27H39FN2O2/c1-4-6-8-9-10-12-13-23-17-20-26(30-29-23)22-15-18-24(19-16-22)32-27(31)21(3)25(28)14-11-7-5-2/h15-21,25H,4-14H2,1-3H3