3-[(6-ethoxy-3-ethoxycarbonyl-quinolin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 3-[(6-ethoxy-3-ethoxycarbonyl-quinolin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[(6-ethoxy-3-ethoxycarbonyl-4-quinolyl)amino]benzoic acid hydrochloride CAS Name: 3-[(6-ethoxy-3-ethoxycarbonyl-4-quinolinyl)amino]benzoic acid hydrochloride IUPAC Name: 3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[(3-carbethoxy-6-ethoxy-4-quinolyl)amino]benzoic acid hydrochloride Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC=CC(=C3)C(=O)O.Cl

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC=CC(=C3)C(=O)O.Cl

InChI

InChI=1S/C21H20N2O5.ClH/c1-3-27-15-8-9-18-16(11-15)19(17(12-22-18)21(26)28-4-2)23-14-7-5-6-13(10-14)20(24)25;/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,25);1H