5-[(2,4-dimethylphenyl)methylamino]-2,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-[(2,4-dimethylphenyl)methylamino]-2,4-bis(fluoranyl)benzoic acid Openeye Name: 5-[(2,4-dimethylphenyl)methylamino]-2,4-difluoro-benzoic acid CAS Name: 5-[(2,4-dimethylphenyl)methylamino]-2,4-difluorobenzoic acid IUPAC Name: 5-[(2,4-dimethylphenyl)methylamino]-2,4-difluorobenzoic acid Traditional Name: 5-[(2,4-dimethylbenzyl)amino]-2,4-difluoro-benzoic acid Formula: C16H15F2NO2 MolecularWeight: 291.292606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)O)F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)O)F)F)C

InChI

InChI=1S/C16H15F2NO2/c1-9-3-4-11(10(2)5-9)8-19-15-6-12(16(20)21)13(17)7-14(15)18/h3-7,19H,8H2,1-2H3,(H,20,21)