3-[(3-ethoxycarbonyl-6,8-dimethyl-quinolin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-quinolin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolyl)amino]benzoic acid hydrochloride CAS Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolinyl)amino]benzoic acid hydrochloride IUPAC Name: 3-[(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[(3-carbethoxy-6,8-dimethyl-4-quinolyl)amino]benzoic acid hydrochloride Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NC3=CC=CC(=C3)C(=O)O.Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NC3=CC=CC(=C3)C(=O)O.Cl

InChI

InChI=1S/C21H20N2O4.ClH/c1-4-27-21(26)17-11-22-18-13(3)8-12(2)9-16(18)19(17)23-15-7-5-6-14(10-15)20(24)25;/h5-11H,4H2,1-3H3,(H,22,23)(H,24,25);1H