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

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-bromophenoxy)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-bromophenoxy)ethyl]isonipecotic acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCOC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)CCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrNO3/c15-12-2-1-3-13(10-12)19-9-8-16-6-4-11(5-7-16)14(17)18/h1-3,10-11H,4-9H2,(H,17,18)