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

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

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=C4)Cl

Isomeric SMILES

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

InChI

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