2-[(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-bromo-1-ethyl-pyrrole-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(4-bromo-1-ethyl-2-pyrrolyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-bromo-1-ethyl-pyrrole-2-carbonyl)amino]-3-methyl-butyric acid Formula: C12H17BrN2O3 MolecularWeight: 317.17898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NC(C(C)C)C(=O)O)Br

Isomeric SMILES

CCN1C=C(C=C1C(=O)NC(C(C)C)C(=O)O)Br

InChI

InChI=1S/C12H17BrN2O3/c1-4-15-6-8(13)5-9(15)11(16)14-10(7(2)3)12(17)18/h5-7,10H,4H2,1-3H3,(H,14,16)(H,17,18)