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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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