(6-chloranylpyridazin-4-yl) 5-bromanyl-3-(2-cyclopropyl-6-methyl-phenoxy)pentanoate

Systemtic Name: (6-chloranylpyridazin-4-yl) 5-bromanyl-3-(2-cyclopropyl-6-methyl-phenoxy)pentanoate Openeye Name: (6-chloropyridazin-4-yl) 5-bromo-3-(2-cyclopropyl-6-methyl-phenoxy)pentanoate CAS Name: 5-bromo-3-(2-cyclopropyl-6-methylphenoxy)pentanoic acid (6-chloro-4-pyridazinyl) ester IUPAC Name: (6-chloropyridazin-4-yl) 5-bromo-3-(2-cyclopropyl-6-methylphenoxy)pentanoate Traditional Name: 5-bromo-3-(2-cyclopropyl-6-methyl-phenoxy)valeric acid (6-chloropyridazin-4-yl) ester Formula: C19H20BrClN2O3 MolecularWeight: 439.7307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC(CCBr)CC(=O)OC2=CC(=NN=C2)Cl)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1OC(CCBr)CC(=O)OC2=CC(=NN=C2)Cl)C3CC3

InChI

InChI=1S/C19H20BrClN2O3/c1-12-3-2-4-16(13-5-6-13)19(12)26-14(7-8-20)10-18(24)25-15-9-17(21)23-22-11-15/h2-4,9,11,13-14H,5-8,10H2,1H3