1-(3-bromophenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-bromobenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-bromobenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-bromobenzoyl)isonipecotic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO3/c14-11-3-1-2-10(8-11)12(16)15-6-4-9(5-7-15)13(17)18/h1-3,8-9H,4-7H2,(H,17,18)