(3S)-1-[2-(4-bromophenyl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(4-bromophenyl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-bromophenyl)acetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(4-bromophenyl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-bromophenyl)acetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-bromophenyl)acetyl]nipecotic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)/t11-/m0/s1