1-[(5-bromanyl-2-fluoranyl-phenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-fluoranyl-phenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-fluoro-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-fluoroanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-fluoro-phenyl)carbamoyl]nipecotic acid Formula: C13H14BrFN2O3 MolecularWeight: 345.164263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=C(C=CC(=C2)Br)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=C(C=CC(=C2)Br)F)C(=O)O

InChI

InChI=1S/C13H14BrFN2O3/c14-9-3-4-10(15)11(6-9)16-13(20)17-5-1-2-8(7-17)12(18)19/h3-4,6,8H,1-2,5,7H2,(H,16,20)(H,18,19)