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4-[2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid

4-[2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid

Systemtic Name:4-[2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid
Openeye Name:4-[2-(9-isopropylsulfanylnonanoylamino)phenoxy]butanoic acid
CAS Name:4-[2-[[1-oxo-9-(propan-2-ylthio)nonyl]amino]phenoxy]butanoic acid
IUPAC Name:4-[2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid
Traditional Name:4-[2-[9-(isopropylthio)nonanoylamino]phenoxy]butyric acid
Formula: C22H35NO4S
MolecularWeight: 409.5826
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


Isomeric SMILES

CC(C)SCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O


InChI

InChI=1S/C22H35NO4S/c1-18(2)28-17-10-6-4-3-5-7-14-21(24)23-19-12-8-9-13-20(19)27-16-11-15-22(25)26/h8-9,12-13,18H,3-7,10-11,14-17H2,1-2H3,(H,23,24)(H,25,26)


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