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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCCC4C(=O)O)OC

InChI

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