5-bromanyl-3-fluoranyl-2-(3-methylbutylamino)benzoic acid

Systemtic Name: 5-bromanyl-3-fluoranyl-2-(3-methylbutylamino)benzoic acid Openeye Name: 5-bromo-3-fluoro-2-(isopentylamino)benzoic acid CAS Name: 5-bromo-3-fluoro-2-(3-methylbutylamino)benzoic acid IUPAC Name: 5-bromo-3-fluoro-2-(3-methylbutylamino)benzoic acid Traditional Name: 5-bromo-3-fluoro-2-(isoamylamino)benzoic acid Formula: C12H15BrFNO2 MolecularWeight: 304.155403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1C(=O)O)Br)F

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1C(=O)O)Br)F

InChI

InChI=1S/C12H15BrFNO2/c1-7(2)3-4-15-11-9(12(16)17)5-8(13)6-10(11)14/h5-7,15H,3-4H2,1-2H3,(H,16,17)