4-(2-azanylethyl)-2-tert-butyl-3,5-bis(fluoranyl)benzoic acid

Systemtic Name: 4-(2-azanylethyl)-2-tert-butyl-3,5-bis(fluoranyl)benzoic acid Openeye Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluoro-benzoic acid CAS Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluorobenzoic acid IUPAC Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluorobenzoic acid Traditional Name: 4-(2-aminoethyl)-2-tert-butyl-3,5-difluoro-benzoic acid Formula: C13H17F2NO2 MolecularWeight: 257.276386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1C(=O)O)F)CCN)F

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1C(=O)O)F)CCN)F

InChI

InChI=1S/C13H17F2NO2/c1-13(2,3)10-8(12(17)18)6-9(14)7(4-5-16)11(10)15/h6H,4-5,16H2,1-3H3,(H,17,18)