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

Systemtic Name: 5-chloranyl-4-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolyl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolinyl)amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 4-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]-5-chloro-2-methoxy-benzoic acid Formula: C22H19ClN2O7 MolecularWeight: 458.84846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O7/c1-4-32-22(29)14-10-24-16-6-5-11(21(28)31-3)7-12(16)19(14)25-17-9-18(30-2)13(20(26)27)8-15(17)23/h5-10H,4H2,1-3H3,(H,24,25)(H,26,27)