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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

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

InChI

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