3-(naphthalen-2-ylmethoxy)-4-[4-(2-oxidanyl-3-phenylsulfanyl-propoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(2-oxidanyl-3-phenylsulfanyl-propoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(2-hydroxy-3-phenylsulfanyl-propoxy)phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-[4-[2-hydroxy-3-(phenylthio)propoxy]phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Traditional Name: 4-[4-[2-hydroxy-3-(phenylthio)propoxy]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCC(CSC3=CC=CC=C3)O)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCC(CSC3=CC=CC=C3)O)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C32H33NO5S/c34-27(22-39-29-8-2-1-3-9-29)21-37-28-14-12-25(13-15-28)30-16-17-33(32(35)36)19-31(30)38-20-23-10-11-24-6-4-5-7-26(24)18-23/h1-15,18,27,30-31,34H,16-17,19-22H2,(H,35,36)