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

Systemtic Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-quinolin-4-yl)amino]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolyl)amino]benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolinyl)amino]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)amino]benzoic acid Traditional Name: 3-[(3-carbethoxy-6,8-dimethyl-4-quinolyl)amino]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/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)