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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-benzyloxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-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=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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