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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1C(=O)O)C)Br

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1C(=O)O)C)Br

InChI

InChI=1S/C13H18BrNO2/c1-3-4-5-6-15-12-10(13(16)17)7-9(2)8-11(12)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)