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

Systemtic Name: 1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-bromophenyl)methyl]isonipecotic acid Formula: C26H26BrNO3 MolecularWeight: 480.39354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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