3-[[2-(trifluoromethyl)phenyl]methylamino]benzoic acid

Systemtic Name: 3-[[2-(trifluoromethyl)phenyl]methylamino]benzoic acid Openeye Name: 3-[[2-(trifluoromethyl)phenyl]methylamino]benzoic acid CAS Name: 3-[[2-(trifluoromethyl)phenyl]methylamino]benzoic acid IUPAC Name: 3-[[2-(trifluoromethyl)phenyl]methylamino]benzoic acid Traditional Name: 3-[[2-(trifluoromethyl)benzyl]amino]benzoic acid Formula: C15H12F3NO2 MolecularWeight: 295.25649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC=CC(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC=CC(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H12F3NO2/c16-15(17,18)13-7-2-1-4-11(13)9-19-12-6-3-5-10(8-12)14(20)21/h1-8,19H,9H2,(H,20,21)