1-[(2,3-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]isonipecotic acid Formula: C30H35NO7 MolecularWeight: 521.6014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C30H35NO7/c1-34-24-12-8-11-23(28(24)37-4)27(31-15-13-21(14-16-31)30(32)33)22-17-25(35-2)29(26(18-22)36-3)38-19-20-9-6-5-7-10-20/h5-12,17-18,21,27H,13-16,19H2,1-4H3,(H,32,33)