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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]pipecolinic acid Formula: C33H33NO4 MolecularWeight: 507.61942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33NO4/c1-37-31-22-28(19-20-30(31)38-23-24-10-4-2-5-11-24)32(34-21-9-8-14-29(34)33(35)36)27-17-15-26(16-18-27)25-12-6-3-7-13-25/h2-7,10-13,15-20,22,29,32H,8-9,14,21,23H2,1H3,(H,35,36)