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

Systemtic Name: 1-(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-bromo-1-cyclopropyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)nipecotic acid Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CN2C3CC3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CN2C3CC3)Br)C(=O)O

InChI

InChI=1S/C14H17BrN2O3/c15-10-6-12(17(8-10)11-3-4-11)13(18)16-5-1-2-9(7-16)14(19)20/h6,8-9,11H,1-5,7H2,(H,19,20)