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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-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=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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