5-fluoranyl-2-(3-methylbutanoylamino)benzoate

Systemtic Name: 5-fluoranyl-2-(3-methylbutanoylamino)benzoate Openeye Name: 5-fluoro-2-(3-methylbutanoylamino)benzoate CAS Name: 5-fluoro-2-[(3-methyl-1-oxobutyl)amino]benzoate IUPAC Name: 5-fluoro-2-(3-methylbutanoylamino)benzoate Traditional Name: 5-fluoro-2-(isovalerylamino)benzoate Formula: C12H13FNO3- MolecularWeight: 238.234923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=C(C=C1)F)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=C(C=C1)F)C(=O)[O-]

InChI

InChI=1S/C12H14FNO3/c1-7(2)5-11(15)14-10-4-3-8(13)6-9(10)12(16)17/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)/p-1