ethyl 4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]benzoate hydrochloride

Systemtic Name: ethyl 4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]benzoate hydrochloride Openeye Name: ethyl 4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]benzoate hydrochloride CAS Name: 4-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]amino]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]benzoate hydrochloride Traditional Name: 4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]benzoic acid ethyl ester hydrochloride Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C21H21N3O4.ClH/c1-4-28-21(25)14-5-8-16(9-6-14)22-20-12-10-17(23-24-20)15-7-11-18(26-2)19(13-15)27-3;/h5-13H,4H2,1-3H3,(H,22,24);1H