3,5-bis[(4-methylphenyl)sulfanylmethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3,5-bis[(4-methylphenyl)sulfanylmethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3,5-bis(p-tolylsulfanylmethyl)piperidine-1-carboxylic acid CAS Name: 3,5-bis[[(4-methylphenyl)thio]methyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3,5-bis[(4-methylphenyl)sulfanylmethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3,5-bis[(p-tolylthio)methyl]piperidine-1-carboxylic acid Formula: C38H43NO4S2 MolecularWeight: 641.88232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)CSC5=CC=C(C=C5)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)CSC5=CC=C(C=C5)C)C(=O)O

InChI

InChI=1S/C38H43NO4S2/c1-28-9-17-35(18-10-28)44-26-32-23-39(38(40)41)24-33(27-45-36-19-11-29(2)12-20-36)37(32)31-13-15-34(16-14-31)43-22-6-21-42-25-30-7-4-3-5-8-30/h3-5,7-20,32-33,37H,6,21-27H2,1-2H3,(H,40,41)