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

Systemtic Name: 3-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid Openeye Name: 3-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid CAS Name: 3-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid IUPAC Name: 3-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid Traditional Name: 3-[[3-carbethoxy-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid Formula: C20H15F3N2O4 MolecularWeight: 404.33931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O4/c1-2-29-19(28)15-10-24-16-9-12(20(21,22)23)6-7-14(16)17(15)25-13-5-3-4-11(8-13)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)