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

Systemtic Name: 6-cyano-8-ethyl-4-[[3-(trifluoromethyloxy)phenyl]methylamino]quinoline-3-carboxylic acid Openeye Name: 6-cyano-8-ethyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]quinoline-3-carboxylic acid CAS Name: 6-cyano-8-ethyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-8-ethyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]quinoline-3-carboxylic acid Traditional Name: 6-cyano-8-ethyl-4-[[3-(trifluoromethoxy)benzyl]amino]quinoline-3-carboxylic acid Formula: C21H16F3N3O3 MolecularWeight: 415.36525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3N3O3/c1-2-14-6-13(9-25)8-16-18(14)27-11-17(20(28)29)19(16)26-10-12-4-3-5-15(7-12)30-21(22,23)24/h3-8,11H,2,10H2,1H3,(H,26,27)(H,28,29)