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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)OCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)OCCC3=CC=CC=C3)C(=O)O

InChI

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