2-methyl-2-[4-[3-(5-methylsulfonyloxy-1H-indol-3-yl)propoxy]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1H-indol-3-yl)propoxy]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1H-indol-3-yl)propoxy]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1H-indol-3-yl)propoxy]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1H-indol-3-yl)propoxy]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1H-indol-3-yl)propoxy]phenoxy]propionic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCCCC2=CNC3=C2C=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCCCC2=CNC3=C2C=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H25NO7S/c1-22(2,21(24)25)29-17-8-6-16(7-9-17)28-12-4-5-15-14-23-20-11-10-18(13-19(15)20)30-31(3,26)27/h6-11,13-14,23H,4-5,12H2,1-3H3,(H,24,25)