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

Systemtic Name: 3-[(3-ethoxycarbonyl-6-phenoxy-quinolin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[(3-ethoxycarbonyl-6-phenoxy-4-quinolyl)amino]benzoic acid hydrochloride CAS Name: 3-[(3-ethoxycarbonyl-6-phenoxy-4-quinolinyl)amino]benzoic acid hydrochloride IUPAC Name: 3-[(3-ethoxycarbonyl-6-phenoxyquinolin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[(3-carbethoxy-6-phenoxy-4-quinolyl)amino]benzoic acid hydrochloride Formula: C25H21ClN2O5 MolecularWeight: 464.89764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)OC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)OC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H20N2O5.ClH/c1-2-31-25(30)21-15-26-22-12-11-19(32-18-9-4-3-5-10-18)14-20(22)23(21)27-17-8-6-7-16(13-17)24(28)29;/h3-15H,2H2,1H3,(H,26,27)(H,28,29);1H