1-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-bromo-1-methyl-pyrrole-2-carbonyl)isonipecotic acid Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCC(CC2)C(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C12H15BrN2O3/c1-14-7-9(13)6-10(14)11(16)15-4-2-8(3-5-15)12(17)18/h6-8H,2-5H2,1H3,(H,17,18)