3-[(4-methylsulfanylphenyl)methoxy]-5-oxidanyl-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)methoxy]-5-oxidanyl-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-hydroxy-5-[(4-methylsulfanylphenyl)methoxy]piperidine-1-carboxylic acid CAS Name: 3-hydroxy-5-[[4-(methylthio)phenyl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-5-[(4-methylsulfanylphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-hydroxy-5-[4-(methylthio)benzyl]oxy-piperidine-1-carboxylic acid Formula: C30H35NO6S MolecularWeight: 537.667

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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)O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)COC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C30H35NO6S/c1-38-26-14-8-23(9-15-26)21-37-28-19-31(30(33)34)18-27(32)29(28)24-10-12-25(13-11-24)36-17-5-16-35-20-22-6-3-2-4-7-22/h2-4,6-15,27-29,32H,5,16-21H2,1H3,(H,33,34)