3-[(3-ethoxycarbonyl-8-ethyl-quinolin-4-yl)amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)NC3=CC=CC(=C3)C(=O)O

InChI

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