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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxyphenyl)methyl]isonipecotic acid Formula: C28H27NO3S MolecularWeight: 457.58388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

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