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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-benzyloxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(4-benzoxyphenyl)methyl]pipecolinic acid Formula: C28H27NO3S MolecularWeight: 457.58388

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=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H27NO3S/c30-28(31)24-11-6-7-17-29(24)27(26-18-22-10-4-5-12-25(22)33-26)21-13-15-23(16-14-21)32-19-20-8-2-1-3-9-20/h1-5,8-10,12-16,18,24,27H,6-7,11,17,19H2,(H,30,31)