1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C29H33NO6 MolecularWeight: 491.57542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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