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

Systemtic Name: 4-fluoranyl-3-(2-methylpentan-3-ylamino)benzoic acid Openeye Name: 3-[(1-ethyl-2-methyl-propyl)amino]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-(2-methylpentan-3-ylamino)benzoic acid IUPAC Name: 4-fluoro-3-(2-methylpentan-3-ylamino)benzoic acid Traditional Name: 3-[(1-ethyl-2-methyl-propyl)amino]-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/c1-4-11(8(2)3)15-12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,4H2,1-3H3,(H,16,17)