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

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-bromophenoxy)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3-bromophenoxy)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-bromophenoxy)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3-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(=CC=C2)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c15-11-4-1-5-12(7-11)20-9-13(17)16-6-2-3-10(8-16)14(18)19/h1,4-5,7,10H,2-3,6,8-9H2,(H,18,19)