5-(2,6-dimethylheptan-4-ylamino)-2,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-(2,6-dimethylheptan-4-ylamino)-2,4-bis(fluoranyl)benzoic acid Openeye Name: 2,4-difluoro-5-[(1-isobutyl-3-methyl-butyl)amino]benzoic acid CAS Name: 5-(2,6-dimethylheptan-4-ylamino)-2,4-difluorobenzoic acid IUPAC Name: 5-(2,6-dimethylheptan-4-ylamino)-2,4-difluorobenzoic acid Traditional Name: 2,4-difluoro-5-[(1-isobutyl-3-methyl-butyl)amino]benzoic acid Formula: C16H23F2NO2 MolecularWeight: 299.356126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)NC1=C(C=C(C(=C1)C(=O)O)F)F

Isomeric SMILES

CC(C)CC(CC(C)C)NC1=C(C=C(C(=C1)C(=O)O)F)F

InChI

InChI=1S/C16H23F2NO2/c1-9(2)5-11(6-10(3)4)19-15-7-12(16(20)21)13(17)8-14(15)18/h7-11,19H,5-6H2,1-4H3,(H,20,21)