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

Systemtic Name: 4-bromanyl-2-[butyl(methyl)amino]benzoic acid Openeye Name: 4-bromo-2-[butyl(methyl)amino]benzoic acid CAS Name: 4-bromo-2-[butyl(methyl)amino]benzoic acid IUPAC Name: 4-bromo-2-[butyl(methyl)amino]benzoic acid Traditional Name: 4-bromo-2-[butyl(methyl)amino]benzoic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=CC(=C1)Br)C(=O)O

Isomeric SMILES

CCCCN(C)C1=C(C=CC(=C1)Br)C(=O)O

InChI

InChI=1S/C12H16BrNO2/c1-3-4-7-14(2)11-8-9(13)5-6-10(11)12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)