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

Systemtic Name: 3-[(6-ethoxy-3-ethoxycarbonyl-quinolin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-ethoxy-3-ethoxycarbonyl-4-quinolyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-ethoxy-3-ethoxycarbonyl-4-quinolinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-6-ethoxy-4-quinolyl)amino]-4-methyl-benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O5/c1-4-28-15-8-9-18-16(11-15)20(17(12-23-18)22(27)29-5-2)24-19-10-14(21(25)26)7-6-13(19)3/h6-12H,4-5H2,1-3H3,(H,23,24)(H,25,26)