3-[(3-ethoxycarbonyl-8-methoxy-quinolin-4-yl)amino]-4-methyl-benzoic acid hydrochloride

Systemtic Name: 3-[(3-ethoxycarbonyl-8-methoxy-quinolin-4-yl)amino]-4-methyl-benzoic acid hydrochloride Openeye Name: 3-[(3-ethoxycarbonyl-8-methoxy-4-quinolyl)amino]-4-methyl-benzoic acid hydrochloride CAS Name: 3-[(3-ethoxycarbonyl-8-methoxy-4-quinolinyl)amino]-4-methylbenzoic acid hydrochloride IUPAC Name: 3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid hydrochloride Traditional Name: 3-[(3-carbethoxy-8-methoxy-4-quinolyl)amino]-4-methyl-benzoic acid hydrochloride Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=C(C=CC(=C3)C(=O)O)C)C=CC=C2OC.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=C(C=CC(=C3)C(=O)O)C)C=CC=C2OC.Cl

InChI

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