1-[(3-phenethyloxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-phenethyloxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenethyloxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenethyloxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenethyloxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-phenethyloxybenzyl)isonipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

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