ethyl 8-methoxy-4-[(2-methylphenyl)amino]quinoline-3-carboxylate sulfate

Systemtic Name: ethyl 8-methoxy-4-[(2-methylphenyl)amino]quinoline-3-carboxylate sulfate Openeye Name: ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate sulfate CAS Name: 8-methoxy-4-(2-methylanilino)-3-quinolinecarboxylic acid ethyl ester sulfate IUPAC Name: ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate sulfate Traditional Name: 8-methoxy-4-(o-toluidino)quinoline-3-carboxylic acid ethyl ester sulfate Formula: C20H20N2O7S-2 MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H20N2O3.H2O4S/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2;1-5(2,3)4/h5-12H,4H2,1-3H3,(H,21,22);(H2,1,2,3,4)/p-2