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2,4-bis(fluoranyl)-5-(2-methylpentan-3-ylamino)benzoic acid

2,4-bis(fluoranyl)-5-(2-methylpentan-3-ylamino)benzoic acid

Systemtic Name:2,4-bis(fluoranyl)-5-(2-methylpentan-3-ylamino)benzoic acid
Openeye Name:5-[(1-ethyl-2-methyl-propyl)amino]-2,4-difluoro-benzoic acid
CAS Name:2,4-difluoro-5-(2-methylpentan-3-ylamino)benzoic acid
IUPAC Name:2,4-difluoro-5-(2-methylpentan-3-ylamino)benzoic acid
Traditional Name:5-[(1-ethyl-2-methyl-propyl)amino]-2,4-difluoro-benzoic acid
Formula: C13H17F2NO2
MolecularWeight: 257.276386
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17F2NO2/c1-4-11(7(2)3)16-12-5-8(13(17)18)9(14)6-10(12)15/h5-7,11,16H,4H2,1-3H3,(H,17,18)


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