5-bromanyl-3-methyl-2-(2-methylpropylamino)benzoic acid

Systemtic Name: 5-bromanyl-3-methyl-2-(2-methylpropylamino)benzoic acid Openeye Name: 5-bromo-2-(isobutylamino)-3-methyl-benzoic acid CAS Name: 5-bromo-3-methyl-2-(2-methylpropylamino)benzoic acid IUPAC Name: 5-bromo-3-methyl-2-(2-methylpropylamino)benzoic acid Traditional Name: 5-bromo-2-(isobutylamino)-3-methyl-benzoic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)O)NCC(C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)NCC(C)C

InChI

InChI=1S/C12H16BrNO2/c1-7(2)6-14-11-8(3)4-9(13)5-10(11)12(15)16/h4-5,7,14H,6H2,1-3H3,(H,15,16)