6-[[5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxidanylidene-1H-pyridazin-3-yl]oxy]hexanoic acid

Systemtic Name: 6-[[5-chloranyl-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxidanylidene-1H-pyridazin-3-yl]oxy]hexanoic acid Openeye Name: 6-[[5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxo-1H-pyridazin-3-yl]oxy]hexanoic acid CAS Name: 6-[[5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxo-1H-pyridazin-3-yl]oxy]hexanoic acid IUPAC Name: 6-[[5-chloro-4-[(3,4-dimethoxyphenyl)methylamino]-6-oxo-1H-pyridazin-3-yl]oxy]hexanoic acid Traditional Name: 6-[[5-chloro-6-keto-4-(veratrylamino)-1H-pyridazin-3-yl]oxy]hexanoic acid Formula: C19H24ClN3O6 MolecularWeight: 425.86336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2OCCCCCC(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2OCCCCCC(=O)O)Cl)OC

InChI

InChI=1S/C19H24ClN3O6/c1-27-13-8-7-12(10-14(13)28-2)11-21-17-16(20)18(26)22-23-19(17)29-9-5-3-4-6-15(24)25/h7-8,10H,3-6,9,11H2,1-2H3,(H,24,25)(H2,21,22,26)