4-fluoranyl-3-(5-methylhexan-2-ylamino)benzoic acid

Systemtic Name: 4-fluoranyl-3-(5-methylhexan-2-ylamino)benzoic acid Openeye Name: 3-(1,4-dimethylpentylamino)-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-(5-methylhexan-2-ylamino)benzoic acid IUPAC Name: 4-fluoro-3-(5-methylhexan-2-ylamino)benzoic acid Traditional Name: 3-(1,4-dimethylpentylamino)-4-fluoro-benzoic acid Formula: C14H20FNO2 MolecularWeight: 253.312503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FNO2/c1-9(2)4-5-10(3)16-13-8-11(14(17)18)6-7-12(13)15/h6-10,16H,4-5H2,1-3H3,(H,17,18)