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

Systemtic Name: 1-[2-(4-bromanylphenoxy)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-bromophenoxy)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-bromophenoxy)acetyl]nipecotic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H16BrNO4/c15-11-3-5-12(6-4-11)20-9-13(17)16-7-1-2-10(8-16)14(18)19/h3-6,10H,1-2,7-9H2,(H,18,19)