(3S)-1-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-bromo-1-methyl-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-bromo-1-methyl-pyrrole-2-carbonyl)nipecotic acid Formula: C12H15BrN2O3 MolecularWeight: 315.1631

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC[C@@H](C2)C(=O)O)Br

InChI

InChI=1S/C12H15BrN2O3/c1-14-7-9(13)5-10(14)11(16)15-4-2-3-8(6-15)12(17)18/h5,7-8H,2-4,6H2,1H3,(H,17,18)/t8-/m0/s1