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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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