3-(dimethylamino)propyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 3-(dimethylamino)propyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 3-(dimethylamino)propyl 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 3-(dimethylamino)propyl ester Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

Isomeric SMILES

CN(C)CCCOC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O2/c1-28(2)13-6-14-30-21(29)16-7-3-4-10-18(16)27-19-11-12-26-20-15(19)8-5-9-17(20)22(23,24)25/h3-5,7-12H,6,13-14H2,1-2H3,(H,26,27)