methyl 3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: methyl 3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: methyl 3-[[6-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 3-[[6-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 3-[[6-(trifluoromethyl)-4-quinolyl]amino]benzoic acid methyl ester Formula: C18H13F3N2O2 MolecularWeight: 346.30323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N2O2/c1-25-17(24)11-3-2-4-13(9-11)23-16-7-8-22-15-6-5-12(10-14(15)16)18(19,20)21/h2-10H,1H3,(H,22,23)