2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(4-bromo-2-methyl-benzoyl)amino]hexanoic acid CAS Name: 2-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(4-bromo-2-methylbenzoyl)amino]hexanoic acid Traditional Name: 2-[(4-bromo-2-methyl-benzoyl)amino]hexanoic acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C14H18BrNO3/c1-3-4-5-12(14(18)19)16-13(17)11-7-6-10(15)8-9(11)2/h6-8,12H,3-5H2,1-2H3,(H,16,17)(H,18,19)