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

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

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

InChI

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