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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-benzoxybenzyl)nipecotic acid Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23NO3/c22-20(23)18-7-4-12-21(14-18)13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,22,23)