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

Systemtic Name: 1-(4-bromanyl-1-ethyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-bromo-1-ethyl-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-bromo-1-ethyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-bromo-1-ethyl-pyrrole-2-carbonyl)nipecotic acid Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CCN1C=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C13H17BrN2O3/c1-2-15-8-10(14)6-11(15)12(17)16-5-3-4-9(7-16)13(18)19/h6,8-9H,2-5,7H2,1H3,(H,18,19)