ethyl 8-methoxy-4-[(phenylmethyl)amino]quinoline-3-carboxylate phosphate

Systemtic Name: ethyl 8-methoxy-4-[(phenylmethyl)amino]quinoline-3-carboxylate phosphate Openeye Name: ethyl 4-(benzylamino)-8-methoxy-quinoline-3-carboxylate phosphate CAS Name: 8-methoxy-4-[(phenylmethyl)amino]-3-quinolinecarboxylic acid ethyl ester phosphate IUPAC Name: ethyl 4-(benzylamino)-8-methoxyquinoline-3-carboxylate phosphate Traditional Name: 4-(benzylamino)-8-methoxy-quinoline-3-carboxylic acid ethyl ester phosphate Formula: C20H20N2O7P-3 MolecularWeight: 431.355761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC3=CC=CC=C3)C=CC=C2OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC3=CC=CC=C3)C=CC=C2OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C20H20N2O3.H3O4P/c1-3-25-20(23)16-13-22-19-15(10-7-11-17(19)24-2)18(16)21-12-14-8-5-4-6-9-14;1-5(2,3)4/h4-11,13H,3,12H2,1-2H3,(H,21,22);(H3,1,2,3,4)/p-3