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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]isonipecotic acid Formula: C29H32ClNO6 MolecularWeight: 526.02048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32ClNO6/c1-34-24-10-9-22(30)17-23(24)27(31-13-11-20(12-14-31)29(32)33)21-15-25(35-2)28(26(16-21)36-3)37-18-19-7-5-4-6-8-19/h4-10,15-17,20,27H,11-14,18H2,1-3H3,(H,32,33)