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

Systemtic Name: 5-chloranyl-4-[(3-ethoxycarbonyl-6,8-dimethyl-quinolin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolyl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(3-ethoxycarbonyl-6,8-dimethyl-4-quinolinyl)amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 4-[(3-carbethoxy-6,8-dimethyl-4-quinolyl)amino]-5-chloro-2-methoxy-benzoic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O5/c1-5-30-22(28)15-10-24-19-12(3)6-11(2)7-14(19)20(15)25-17-9-18(29-4)13(21(26)27)8-16(17)23/h6-10H,5H2,1-4H3,(H,24,25)(H,26,27)