6-cyano-8-ethyl-4-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylic acid

Systemtic Name: 6-cyano-8-ethyl-4-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylic acid Openeye Name: 6-cyano-8-ethyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylic acid CAS Name: 6-cyano-8-ethyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-8-ethyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylic acid Traditional Name: 6-cyano-8-ethyl-4-[[2-fluoro-4-(trifluoromethyl)benzyl]amino]quinoline-3-carboxylic acid Formula: C21H15F4N3O2 MolecularWeight: 417.356313

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=C(C=C(C=C3)C(F)(F)F)F)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=C(C=C(C=C3)C(F)(F)F)F)C#N

InChI

InChI=1S/C21H15F4N3O2/c1-2-12-5-11(8-26)6-15-18(12)28-10-16(20(29)30)19(15)27-9-13-3-4-14(7-17(13)22)21(23,24)25/h3-7,10H,2,9H2,1H3,(H,27,28)(H,29,30)