(phenylmethyl) 4-(5-methoxy-2-methylsulfanyl-phenyl)-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-methoxy-2-methylsulfanyl-phenyl)-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-hydroxy-4-(5-methoxy-2-methylsulfanyl-phenyl)piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[5-methoxy-2-(methylthio)phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-4-(5-methoxy-2-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[5-methoxy-2-(methylthio)phenyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)SC)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO4S/c1-25-17-8-9-19(27-2)18(14-17)21(24)10-12-22(13-11-21)20(23)26-15-16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3