1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

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

InChI

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