3-[(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(7-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]benzoic acid Openeye Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolyl)amino]benzoic acid CAS Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methyl-4-quinolinyl)amino]benzoic acid IUPAC Name: 3-[(7-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid Traditional Name: 3-[(3-carbethoxy-7-chloro-8-methyl-4-quinolyl)amino]benzoic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4/c1-3-27-20(26)15-10-22-17-11(2)16(21)8-7-14(17)18(15)23-13-6-4-5-12(9-13)19(24)25/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)