4-[[3-[[2-chloranyl-3-(3-cyano-5-methyl-phenoxy)phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[[2-chloranyl-3-(3-cyano-5-methyl-phenoxy)phenyl]methyl]-5-methyl-6-oxidanylidene-pyridazin-1-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[[2-chloro-3-(3-cyano-5-methyl-phenoxy)phenyl]methyl]-5-methyl-6-oxo-pyridazin-1-yl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-[[2-chloro-3-(3-cyano-5-methylphenoxy)phenyl]methyl]-5-methyl-6-oxo-1-pyridazinyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-[[2-chloro-3-(3-cyano-5-methylphenoxy)phenyl]methyl]-5-methyl-6-oxopyridazin-1-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[3-[2-chloro-3-(3-cyano-5-methyl-phenoxy)benzyl]-6-keto-5-methyl-pyridazin-1-yl]methoxy]-4-keto-butyric acid Formula: C25H22ClN3O6 MolecularWeight: 495.91168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)OC2=CC=CC(=C2Cl)CC3=NN(C(=O)C(=C3)C)COC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)OC2=CC=CC(=C2Cl)CC3=NN(C(=O)C(=C3)C)COC(=O)CCC(=O)O

InChI

InChI=1S/C25H22ClN3O6/c1-15-8-17(13-27)11-20(9-15)35-21-5-3-4-18(24(21)26)12-19-10-16(2)25(33)29(28-19)14-34-23(32)7-6-22(30)31/h3-5,8-11H,6-7,12,14H2,1-2H3,(H,30,31)