3-(naphthalen-2-ylmethoxy)-4-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzylsulfanylpropoxy)phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-[3-(phenylmethylthio)propoxy]phenyl]-1-piperidinecarboxylate IUPAC Name: 4-[4-(3-benzylsulfanylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate Traditional Name: 4-[4-[3-(benzylthio)propoxy]phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate Formula: C33H34NO4S- MolecularWeight: 540.69236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-]

InChI

InChI=1S/C33H35NO4S/c35-33(36)34-18-17-31(32(22-34)38-23-26-11-12-27-9-4-5-10-29(27)21-26)28-13-15-30(16-14-28)37-19-6-20-39-24-25-7-2-1-3-8-25/h1-5,7-16,21,31-32H,6,17-20,22-24H2,(H,35,36)/p-1