1-[2-[2-(phenylmethyl)phenoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2-(phenylmethyl)phenoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-benzylphenoxy)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2-(phenylmethyl)phenoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-benzylphenoxy)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-benzylphenoxy)ethyl]nipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCOC2=CC=CC=C2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCOC2=CC=CC=C2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO3/c23-21(24)19-10-6-12-22(16-19)13-14-25-20-11-5-4-9-18(20)15-17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16H2,(H,23,24)