3-[(4-methylsulfanylphenyl)methoxy]-4-[4-(2-phenethyloxyethoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-[4-(2-phenethyloxyethoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-[4-(2-phenethyloxyethoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-[[4-(methylthio)phenyl]methoxy]-4-[4-(2-phenethyloxyethoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-[4-(2-phenethyloxyethoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-[4-(methylthio)benzyl]oxy-4-[4-(2-phenethyloxyethoxy)phenyl]piperidine-1-carboxylic acid Formula: C30H35NO5S MolecularWeight: 521.6676

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2CN(CCC2C3=CC=C(C=C3)OCCOCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)COC2CN(CCC2C3=CC=C(C=C3)OCCOCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H35NO5S/c1-37-27-13-7-24(8-14-27)22-36-29-21-31(30(32)33)17-15-28(29)25-9-11-26(12-10-25)35-20-19-34-18-16-23-5-3-2-4-6-23/h2-14,28-29H,15-22H2,1H3,(H,32,33)