3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 4-fluoro-3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]benzoic acid CAS Name: 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoic acid Traditional Name: 4-fluoro-3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]benzoic acid Formula: C16H16FNO3 MolecularWeight: 289.301543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C16H16FNO3/c1-9-5-11(6-10(2)15(9)19)8-18-14-7-12(16(20)21)3-4-13(14)17/h3-7,18-19H,8H2,1-2H3,(H,20,21)