ethyl 8-methoxy-4-[(3-methylphenyl)amino]quinoline-3-carboxylate hydrate hydrochloride

Systemtic Name: ethyl 8-methoxy-4-[(3-methylphenyl)amino]quinoline-3-carboxylate hydrate hydrochloride Openeye Name: ethyl 8-methoxy-4-(3-methylanilino)quinoline-3-carboxylate hydrate hydrochloride CAS Name: 8-methoxy-4-(3-methylanilino)-3-quinolinecarboxylic acid ethyl ester hydrate hydrochloride IUPAC Name: ethyl 8-methoxy-4-(3-methylanilino)quinoline-3-carboxylate hydrate hydrochloride Traditional Name: 8-methoxy-4-(m-toluidino)quinoline-3-carboxylic acid ethyl ester hydrate hydrochloride Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC(=C3)C)C=CC=C2OC.O.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC(=C3)C)C=CC=C2OC.O.Cl

InChI

InChI=1S/C20H20N2O3.ClH.H2O/c1-4-25-20(23)16-12-21-19-15(9-6-10-17(19)24-3)18(16)22-14-8-5-7-13(2)11-14;;/h5-12H,4H2,1-3H3,(H,21,22);1H;1H2