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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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