3,5-bis(fluoranyl)-2,6-dimethoxy-4-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3,5-bis(fluoranyl)-2,6-dimethoxy-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-3,5-difluoro-2,6-dimethoxy-benzoic acid CAS Name: 3,5-difluoro-2,6-dimethoxy-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-3,5-difluoro-2,6-dimethoxybenzoic acid Traditional Name: 4-(benzylamino)-3,5-difluoro-2,6-dimethoxy-benzoic acid Formula: C16H15F2NO4 MolecularWeight: 323.291406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1F)NCC2=CC=CC=C2)F)OC)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1F)NCC2=CC=CC=C2)F)OC)C(=O)O

InChI

InChI=1S/C16H15F2NO4/c1-22-14-10(16(20)21)15(23-2)12(18)13(11(14)17)19-8-9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3,(H,20,21)