2-dimethylaminoethyl 5-fluoranyl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 5-fluoranyl-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-dimethylaminoethyl 5-fluoro-2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 5-fluoro-2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-fluoro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 5-fluoro-2-[[8-(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=C(C3=NC=C2)C(F)(F)F

Isomeric SMILES

CN(C)CCOC(=O)C1=C(C=CC(=C1)F)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

InChI

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