1-[(2,3-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(2,3-dimethoxyphenyl)methyl]pipecolinic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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