ethyl 6-(trifluoromethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-(trifluoromethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate Openeye Name: ethyl 6-(trifluoromethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate CAS Name: 6-(trifluoromethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(trifluoromethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate Traditional Name: 6-(trifluoromethyl)-4-[[2-(trifluoromethyl)benzyl]amino]quinoline-3-carboxylic acid ethyl ester Formula: C21H16F6N2O2 MolecularWeight: 442.354359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC=CC=C3C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC=CC=C3C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H16F6N2O2/c1-2-31-19(30)15-11-28-17-8-7-13(20(22,23)24)9-14(17)18(15)29-10-12-5-3-4-6-16(12)21(25,26)27/h3-9,11H,2,10H2,1H3,(H,28,29)