(3S)-1-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-bromo-1H-pyrrole-2-carbonyl)nipecotic acid Formula: C11H13BrN2O3 MolecularWeight: 301.13652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CN2)Br)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CN2)Br)C(=O)O

InChI

InChI=1S/C11H13BrN2O3/c12-8-4-9(13-5-8)10(15)14-3-1-2-7(6-14)11(16)17/h4-5,7,13H,1-3,6H2,(H,16,17)/t7-/m0/s1