1-(4-bromanyl-2-chloranyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-bromo-2-chloro-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-bromo-2-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-bromo-2-chloro-benzoyl)nipecotic acid Formula: C13H13BrClNO3 MolecularWeight: 346.60422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C13H13BrClNO3/c14-9-3-4-10(11(15)6-9)12(17)16-5-1-2-8(7-16)13(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)