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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)COC2=CC(=CC=C2)Br

InChI

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