5-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[3-carbethoxy-7-(trifluoromethyl)-4-quinolyl]amino]-2-hydroxy-benzoic acid Formula: C20H15F3N2O5 MolecularWeight: 420.33871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O5/c1-2-30-19(29)14-9-24-15-7-10(20(21,22)23)3-5-12(15)17(14)25-11-4-6-16(26)13(8-11)18(27)28/h3-9,26H,2H2,1H3,(H,24,25)(H,27,28)