(3S)-1-[(4-bromophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(4-bromophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(4-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-bromophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(4-bromophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-bromobenzyl)nipecotic acid Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO2/c14-12-5-3-10(4-6-12)8-15-7-1-2-11(9-15)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)/t11-/m0/s1