1-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(5-bromo-2-furoyl)amino]acetyl]nipecotic acid Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNC(=O)C2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CNC(=O)C2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C13H15BrN2O5/c14-10-4-3-9(21-10)12(18)15-6-11(17)16-5-1-2-8(7-16)13(19)20/h3-4,8H,1-2,5-7H2,(H,15,18)(H,19,20)