4-bromanyl-2-[methyl(2-methylbutyl)amino]benzoic acid

Systemtic Name: 4-bromanyl-2-[methyl(2-methylbutyl)amino]benzoic acid Openeye Name: 4-bromo-2-[methyl(2-methylbutyl)amino]benzoic acid CAS Name: 4-bromo-2-[methyl(2-methylbutyl)amino]benzoic acid IUPAC Name: 4-bromo-2-[methyl(2-methylbutyl)amino]benzoic acid Traditional Name: 4-bromo-2-[methyl(2-methylbutyl)amino]benzoic acid Formula: C13H18BrNO2 MolecularWeight: 300.19152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)C1=C(C=CC(=C1)Br)C(=O)O

Isomeric SMILES

CCC(C)CN(C)C1=C(C=CC(=C1)Br)C(=O)O

InChI

InChI=1S/C13H18BrNO2/c1-4-9(2)8-15(3)12-7-10(14)5-6-11(12)13(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)