3-[(4-methylsulfanylphenyl)methoxy]-4-[4-[(E)-3-phenylprop-2-enoxy]phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-[4-[(E)-3-phenylprop-2-enoxy]phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-[(E)-cinnamyl]oxyphenyl]-3-[(4-methylsulfanylphenyl)methoxy]piperidine-1-carboxylic acid CAS Name: 3-[[4-(methylthio)phenyl]methoxy]-4-[4-[(E)-3-phenylprop-2-enoxy]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-[4-[(E)-3-phenylprop-2-enoxy]phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-[(E)-cinnamyl]oxyphenyl]-3-[4-(methylthio)benzyl]oxy-piperidine-1-carboxylic acid Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC2CN(CCC2C3=CC=C(C=C3)OCC=CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4S/c1-35-26-15-9-23(10-16-26)21-34-28-20-30(29(31)32)18-17-27(28)24-11-13-25(14-12-24)33-19-5-8-22-6-3-2-4-7-22/h2-16,27-28H,17-21H2,1H3,(H,31,32)/b8-5+