2-(3,3-dimethylbutanoylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 2-(3,3-dimethylbutanoylamino)-4-fluoranyl-benzoic acid Openeye Name: 2-(3,3-dimethylbutanoylamino)-4-fluoro-benzoic acid CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-4-fluorobenzoic acid IUPAC Name: 2-(3,3-dimethylbutanoylamino)-4-fluorobenzoic acid Traditional Name: 2-(3,3-dimethylbutanoylamino)-4-fluoro-benzoic acid Formula: C13H16FNO3 MolecularWeight: 253.269443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO3/c1-13(2,3)7-11(16)15-10-6-8(14)4-5-9(10)12(17)18/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)