3-[(phenylmethyl)amino]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-(benzylamino)-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(phenylmethyl)amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(benzylamino)-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(benzylamino)-5-(trifluoromethyl)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(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

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