2-[4-(3-pyridin-2-ylpropoxy)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-(3-pyridin-2-ylpropoxy)phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-[3-(2-pyridyl)propoxy]phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-[3-(2-pyridinyl)propoxy]phenyl]thio]octanoic acid IUPAC Name: 2-[4-(3-pyridin-2-ylpropoxy)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-[3-(2-pyridyl)propoxy]phenyl]thio]caprylic acid Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OCCCC2=CC=CC=N2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OCCCC2=CC=CC=N2

InChI

InChI=1S/C22H29NO3S/c1-2-3-4-5-11-21(22(24)25)27-20-14-12-19(13-15-20)26-17-8-10-18-9-6-7-16-23-18/h6-7,9,12-16,21H,2-5,8,10-11,17H2,1H3,(H,24,25)