2-[(2-acetyloxy-5-bromanyl-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-acetyloxy-5-bromanyl-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-acetoxy-5-bromo-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(2-acetyloxy-5-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-acetyloxy-5-bromobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-acetoxy-5-bromo-benzoyl)amino]-3-methyl-butyric acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)OC(=O)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)OC(=O)C

InChI

InChI=1S/C14H16BrNO5/c1-7(2)12(14(19)20)16-13(18)10-6-9(15)4-5-11(10)21-8(3)17/h4-7,12H,1-3H3,(H,16,18)(H,19,20)