4-[2-(7-propan-2-ylsulfanylheptanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(7-propan-2-ylsulfanylheptanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(7-isopropylsulfanylheptanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[1-oxo-7-(propan-2-ylthio)heptyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(7-propan-2-ylsulfanylheptanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[7-(isopropylthio)heptanoylamino]phenoxy]butyric acid Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4S/c1-16(2)26-15-8-4-3-5-12-19(22)21-17-10-6-7-11-18(17)25-14-9-13-20(23)24/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3,(H,21,22)(H,23,24)