1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(4-benzoxy-3,5-dimethoxy-benzyl)isonipecotic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)CN3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)CN3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO5/c1-26-19-12-17(14-23-10-8-18(9-11-23)22(24)25)13-20(27-2)21(19)28-15-16-6-4-3-5-7-16/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,24,25)