1-[(2,6-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(2,6-dimethoxyphenyl)methyl]pipecolinic 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=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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