ethanol; ethyl 4-[(2-aminocarbonylphenyl)amino]-8-methoxy-quinoline-3-carboxylate; hydrochloride

Systemtic Name: ethanol; ethyl 4-[(2-aminocarbonylphenyl)amino]-8-methoxy-quinoline-3-carboxylate; hydrochloride Openeye Name: ethanol; ethyl 4-(2-carbamoylanilino)-8-methoxy-quinoline-3-carboxylate; hydrochloride CAS Name: 4-(2-carbamoylanilino)-8-methoxy-3-quinolinecarboxylic acid ethyl ester; ethanol; hydrochloride IUPAC Name: ethanol; ethyl 4-(2-carbamoylanilino)-8-methoxyquinoline-3-carboxylate; hydrochloride Traditional Name: 4-(2-carbamoylanilino)-8-methoxy-quinoline-3-carboxylic acid ethyl ester; ethanol; hydrochloride Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C(=O)N)C=CC=C2OC.Cl

Isomeric SMILES

CCO.CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C(=O)N)C=CC=C2OC.Cl

InChI

InChI=1S/C20H19N3O4.C2H6O.ClH/c1-3-27-20(25)14-11-22-18-13(8-6-10-16(18)26-2)17(14)23-15-9-5-4-7-12(15)19(21)24;1-2-3;/h4-11H,3H2,1-2H3,(H2,21,24)(H,22,23);3H,2H2,1H3;1H