1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(2-bromophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(2-bromophenyl)methyl]pipecolinic acid Formula: C26H26BrNO3 MolecularWeight: 480.39354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C26H26BrNO3/c27-23-11-5-4-10-22(23)25(28-17-7-6-12-24(28)26(29)30)20-13-15-21(16-14-20)31-18-19-8-2-1-3-9-19/h1-5,8-11,13-16,24-25H,6-7,12,17-18H2,(H,29,30)