3-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-4-yl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-4-30-22(28)16-11-23-17-8-7-14(21(27)29-3)9-15(17)19(16)24-18-10-13(20(25)26)6-5-12(18)2/h5-11H,4H2,1-3H3,(H,23,24)(H,25,26)