5-chloranyl-4-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[(6-chloro-3-ethoxycarbonyl-8-methyl-4-quinolyl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(6-chloro-3-ethoxycarbonyl-8-methyl-4-quinolinyl)amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 4-[(3-carbethoxy-6-chloro-8-methyl-4-quinolyl)amino]-5-chloro-2-methoxy-benzoic acid Formula: C21H18Cl2N2O5 MolecularWeight: 449.28402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O5/c1-4-30-21(28)14-9-24-18-10(2)5-11(22)6-13(18)19(14)25-16-8-17(29-3)12(20(26)27)7-15(16)23/h5-9H,4H2,1-3H3,(H,24,25)(H,26,27)