1-[[2,4,6-tris(bromanyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,4,6-tris(bromanyl)phenyl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-(2,4,6-tribromoanilino)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4,6-tribromophenyl)carbamoyl]isonipecotic acid Formula: C13H13Br3N2O3 MolecularWeight: 484.96592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=C(C=C(C=C2Br)Br)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=C(C=C(C=C2Br)Br)Br

InChI

InChI=1S/C13H13Br3N2O3/c14-8-5-9(15)11(10(16)6-8)17-13(21)18-3-1-7(2-4-18)12(19)20/h5-7H,1-4H2,(H,17,21)(H,19,20)