4-fluoranyl-3-(3-methylpentan-2-ylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(3-methylpentan-2-ylamino)benzoic acid Openeye Name: 3-(1,2-dimethylbutylamino)-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-(3-methylpentan-2-ylamino)benzoic acid IUPAC Name: 4-fluoro-3-(3-methylpentan-2-ylamino)benzoic acid Traditional Name: 3-(1,2-dimethylbutylamino)-4-fluoro-benzoic acid Formula: C13H18FNO2 MolecularWeight: 239.285923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FNO2/c1-4-8(2)9(3)15-12-7-10(13(16)17)5-6-11(12)14/h5-9,15H,4H2,1-3H3,(H,16,17)