3-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-4-yl)amino]benzoic acid dihydrochloride

Systemtic Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-4-yl)amino]benzoic acid dihydrochloride Openeye Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolyl)amino]benzoic acid dihydrochloride CAS Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolinyl)amino]benzoic acid dihydrochloride IUPAC Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]benzoic acid dihydrochloride Traditional Name: 3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]benzoic acid dihydrochloride Formula: C21H20Cl2N2O6 MolecularWeight: 467.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)C(=O)OC.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)C(=O)OC.Cl.Cl

InChI

InChI=1S/C21H18N2O6.2ClH/c1-3-29-21(27)16-11-22-17-8-7-13(20(26)28-2)10-15(17)18(16)23-14-6-4-5-12(9-14)19(24)25;;/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25);2*1H