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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]isonipecotic acid Formula: C29H33NO6 MolecularWeight: 491.57542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C29H33NO6/c1-33-23-10-12-25(34-2)24(18-23)28(30-15-13-21(14-16-30)29(31)32)22-9-11-26(27(17-22)35-3)36-19-20-7-5-4-6-8-20/h4-12,17-18,21,28H,13-16,19H2,1-3H3,(H,31,32)