3-[2-[1-[4-(1-oxidanylhexyl)phenyl]-6-oxidanylidene-piperidin-2-yl]sulfanylethoxy]propanoic acid

Systemtic Name: 3-[2-[1-[4-(1-oxidanylhexyl)phenyl]-6-oxidanylidene-piperidin-2-yl]sulfanylethoxy]propanoic acid Openeye Name: 3-[2-[[1-[4-(1-hydroxyhexyl)phenyl]-6-oxo-2-piperidyl]sulfanyl]ethoxy]propanoic acid CAS Name: 3-[2-[[1-[4-(1-hydroxyhexyl)phenyl]-6-oxo-2-piperidinyl]thio]ethoxy]propanoic acid IUPAC Name: 3-[2-[1-[4-(1-hydroxyhexyl)phenyl]-6-oxopiperidin-2-yl]sulfanylethoxy]propanoic acid Traditional Name: 3-[2-[[1-[4-(1-hydroxyhexyl)phenyl]-6-keto-2-piperidyl]thio]ethoxy]propionic acid Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N2C(CCCC2=O)SCCOCCC(=O)O)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)N2C(CCCC2=O)SCCOCCC(=O)O)O

InChI

InChI=1S/C22H33NO5S/c1-2-3-4-6-19(24)17-9-11-18(12-10-17)23-20(25)7-5-8-21(23)29-16-15-28-14-13-22(26)27/h9-12,19,21,24H,2-8,13-16H2,1H3,(H,26,27)