5-(butan-2-ylamino)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(butan-2-ylamino)-2-fluoranyl-benzoic acid Openeye Name: 2-fluoro-5-(sec-butylamino)benzoic acid CAS Name: 5-(butan-2-ylamino)-2-fluorobenzoic acid IUPAC Name: 5-(butan-2-ylamino)-2-fluorobenzoic acid Traditional Name: 2-fluoro-5-(sec-butylamino)benzoic acid Formula: C11H14FNO2 MolecularWeight: 211.232763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14FNO2/c1-3-7(2)13-8-4-5-10(12)9(6-8)11(14)15/h4-7,13H,3H2,1-2H3,(H,14,15)