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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)CN3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)CN3CCCC(C3)C(=O)O

InChI

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