2-[(4-bromanyl-1-propan-2-yl-pyrrol-2-yl)carbonylamino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC(=CN1C(C)C)Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC(=CN1C(C)C)Br

InChI

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