2-fluoranyl-5-(pentan-3-ylamino)benzoic acid

Systemtic Name: 2-fluoranyl-5-(pentan-3-ylamino)benzoic acid Openeye Name: 5-(1-ethylpropylamino)-2-fluoro-benzoic acid CAS Name: 2-fluoro-5-(pentan-3-ylamino)benzoic acid IUPAC Name: 2-fluoro-5-(pentan-3-ylamino)benzoic acid Traditional Name: 5-(1-ethylpropylamino)-2-fluoro-benzoic acid Formula: C12H16FNO2 MolecularWeight: 225.259343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FNO2/c1-3-8(4-2)14-9-5-6-11(13)10(7-9)12(15)16/h5-8,14H,3-4H2,1-2H3,(H,15,16)