1-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(5-bromo-2-chloro-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-chlorobenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(5-bromo-2-chloro-benzoyl)isonipecotic acid Formula: C13H13BrClNO3 MolecularWeight: 346.60422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C13H13BrClNO3/c14-9-1-2-11(15)10(7-9)12(17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H,18,19)