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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]pipecolinic acid Formula: C29H33NO5 MolecularWeight: 475.57602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

InChI

InChI=1S/C29H33NO5/c1-20-12-14-22(15-13-20)27(30-16-8-7-11-24(30)29(31)32)23-17-25(33-2)28(26(18-23)34-3)35-19-21-9-5-4-6-10-21/h4-6,9-10,12-15,17-18,24,27H,7-8,11,16,19H2,1-3H3,(H,31,32)