1-[(3-chlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3-chlorophenyl)methyl]isonipecotic acid Formula: C26H26ClNO3 MolecularWeight: 435.94254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C26H26ClNO3/c27-22-10-6-9-21(17-22)25(28-15-13-20(14-16-28)26(29)30)23-11-4-5-12-24(23)31-18-19-7-2-1-3-8-19/h1-12,17,20,25H,13-16,18H2,(H,29,30)