3,5-bis[(4-methylsulfanylphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: 3,5-bis[(4-methylsulfanylphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3,5-bis[(4-methylsulfanylphenyl)methoxy]piperidine-1-carboxylate CAS Name: 3,5-bis[[4-(methylthio)phenyl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylate IUPAC Name: 3,5-bis[(4-methylsulfanylphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3,5-bis[[4-(methylthio)benzyl]oxy]piperidine-1-carboxylate Formula: C38H42NO6S2- MolecularWeight: 672.87318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)OCC5=CC=C(C=C5)SC)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)OCC5=CC=C(C=C5)SC)C(=O)[O-]

InChI

InChI=1S/C38H43NO6S2/c1-46-33-17-9-29(10-18-33)26-44-35-23-39(38(40)41)24-36(45-27-30-11-19-34(47-2)20-12-30)37(35)31-13-15-32(16-14-31)43-22-6-21-42-25-28-7-4-3-5-8-28/h3-5,7-20,35-37H,6,21-27H2,1-2H3,(H,40,41)/p-1