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

Systemtic Name: 4-chloranyl-2-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-2-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid CAS Name: 4-chloro-2-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid Traditional Name: 2-[[3-carbethoxy-7-(trifluoromethyl)-4-quinolyl]amino]-4-chloro-benzoic acid Formula: C20H14ClF3N2O4 MolecularWeight: 438.78437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClF3N2O4/c1-2-30-19(29)14-9-25-15-7-10(20(22,23)24)3-5-12(15)17(14)26-16-8-11(21)4-6-13(16)18(27)28/h3-9H,2H2,1H3,(H,25,26)(H,27,28)