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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-benzyloxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-benzoxyphenyl)methyl]isonipecotic acid Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

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