1-[4-[2-[2-(3-ethylphenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[2-[2-(3-ethylphenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[2-[2-(3-ethylphenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid CAS Name: 1-[4-[2-[2-(3-ethylphenyl)ethyl]phenoxy]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[2-[2-(3-ethylphenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[2-[2-(3-ethylphenyl)ethyl]phenoxy]butyl]isonipecotic acid Formula: C26H35NO3 MolecularWeight: 409.561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CCC2=CC=CC=C2OCCCCN3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)CCC2=CC=CC=C2OCCCCN3CCC(CC3)C(=O)O

InChI

InChI=1S/C26H35NO3/c1-2-21-8-7-9-22(20-21)12-13-23-10-3-4-11-25(23)30-19-6-5-16-27-17-14-24(15-18-27)26(28)29/h3-4,7-11,20,24H,2,5-6,12-19H2,1H3,(H,28,29)