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

Systemtic Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzoate IUPAC Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 4-[[3-carbethoxy-7-(trifluoromethyl)-4-quinolyl]amino]benzoate Formula: C20H14F3N2O4- MolecularWeight: 403.33137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=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)5-8-14(16)17(15)25-13-6-3-11(4-7-13)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)/p-1