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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-benzyloxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

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