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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)/t10-/m0/s1