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

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]butanoic acid Openeye Name: 2-[(4-bromo-2-methyl-benzoyl)amino]butanoic acid CAS Name: 2-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(4-bromo-2-methylbenzoyl)amino]butanoic acid Traditional Name: 2-[(4-bromo-2-methyl-benzoyl)amino]butyric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3/c1-3-10(12(16)17)14-11(15)9-5-4-8(13)6-7(9)2/h4-6,10H,3H2,1-2H3,(H,14,15)(H,16,17)