2-dimethylaminoethyl 5-fluoranyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 5-fluoranyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-dimethylaminoethyl 5-fluoro-2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 5-fluoro-2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-fluoro-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 5-fluoro-2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 2-dimethylaminoethyl ester Formula: C21H19F4N3O2 MolecularWeight: 421.388073

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(C=CC(=C1)F)NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F

Isomeric SMILES

CN(C)CCOC(=O)C1=C(C=CC(=C1)F)NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F

InChI

InChI=1S/C21H19F4N3O2/c1-28(2)9-10-30-20(29)16-12-14(22)4-6-17(16)27-18-7-8-26-19-11-13(21(23,24)25)3-5-15(18)19/h3-8,11-12H,9-10H2,1-2H3,(H,26,27)