3-[(4-methylsulfanylphenyl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylic acid Openeye Name: 4-(4-allyloxyphenyl)-3-[(4-methylsulfanylphenyl)methoxy]piperidine-1-carboxylic acid CAS Name: 3-[[4-(methylthio)phenyl]methoxy]-4-(4-prop-2-enoxyphenyl)-1-piperidinecarboxylic acid IUPAC Name: 3-[(4-methylsulfanylphenyl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylic acid Traditional Name: 4-(4-allyloxyphenyl)-3-[4-(methylthio)benzyl]oxy-piperidine-1-carboxylic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-3-14-27-19-8-6-18(7-9-19)21-12-13-24(23(25)26)15-22(21)28-16-17-4-10-20(29-2)11-5-17/h3-11,21-22H,1,12-16H2,2H3,(H,25,26)