1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(2,6-dimethoxyphenyl)methyl]isonipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C28H31NO5/c1-32-24-13-8-14-25(33-2)26(24)27(29-17-15-21(16-18-29)28(30)31)22-11-6-7-12-23(22)34-19-20-9-4-3-5-10-20/h3-14,21,27H,15-19H2,1-2H3,(H,30,31)