6-chloranyl-4-[(3,4-dimethoxyphenyl)amino]-8-methyl-quinoline-3-carboxylic acid dihydrochloride

Systemtic Name: 6-chloranyl-4-[(3,4-dimethoxyphenyl)amino]-8-methyl-quinoline-3-carboxylic acid dihydrochloride Openeye Name: 6-chloro-4-(3,4-dimethoxyanilino)-8-methyl-quinoline-3-carboxylic acid dihydrochloride CAS Name: 6-chloro-4-(3,4-dimethoxyanilino)-8-methyl-3-quinolinecarboxylic acid dihydrochloride IUPAC Name: 6-chloro-4-(3,4-dimethoxyanilino)-8-methylquinoline-3-carboxylic acid dihydrochloride Traditional Name: 6-chloro-4-(3,4-dimethoxyanilino)-8-methyl-quinoline-3-carboxylic acid dihydrochloride Formula: C19H19Cl3N2O4 MolecularWeight: 445.72416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=C(C=N2)C(=O)O)NC3=CC(=C(C=C3)OC)OC.Cl.Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=C(C=N2)C(=O)O)NC3=CC(=C(C=C3)OC)OC.Cl.Cl

InChI

InChI=1S/C19H17ClN2O4.2ClH/c1-10-6-11(20)7-13-17(10)21-9-14(19(23)24)18(13)22-12-4-5-15(25-2)16(8-12)26-3;;/h4-9H,1-3H3,(H,21,22)(H,23,24);2*1H