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

Systemtic Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propoxy]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propoxy]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxy-1-indolyl)propoxy]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propoxy]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-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)OCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H25NO7S/c1-22(2,21(24)25)29-18-7-5-17(6-8-18)28-14-4-12-23-13-11-16-15-19(9-10-20(16)23)30-31(3,26)27/h5-11,13,15H,4,12,14H2,1-3H3,(H,24,25)