1-[(4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C32H31NO3 MolecularWeight: 477.59344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H31NO3/c34-32(35)29-12-7-21-33(22-29)31(27-15-13-26(14-16-27)25-10-5-2-6-11-25)28-17-19-30(20-18-28)36-23-24-8-3-1-4-9-24/h1-6,8-11,13-20,29,31H,7,12,21-23H2,(H,34,35)