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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

InChI

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