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

Systemtic Name: 5-bromanyl-3-methyl-2-(3-methylbutylamino)benzoic acid Openeye Name: 5-bromo-2-(isopentylamino)-3-methyl-benzoic acid CAS Name: 5-bromo-3-methyl-2-(3-methylbutylamino)benzoic acid IUPAC Name: 5-bromo-3-methyl-2-(3-methylbutylamino)benzoic acid Traditional Name: 5-bromo-2-(isoamylamino)-3-methyl-benzoic acid Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO2/c1-8(2)4-5-15-12-9(3)6-10(14)7-11(12)13(16)17/h6-8,15H,4-5H2,1-3H3,(H,16,17)