2-(1,3-benzodioxol-5-yl)-2-[1-methyl-6-(methylperoxymethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[1-methyl-6-(methylperoxymethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[1-methyl-6-(methylperoxymethyl)indol-3-yl]acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[1-methyl-6-(methyldioxymethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[1-methyl-6-(methylperoxymethyl)indol-3-yl]acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[1-methyl-6-(methylperoxymethyl)indol-3-yl]acetic acid Formula: C20H19NO6 MolecularWeight: 369.36796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)COOC)C(C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)COOC)C(C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H19NO6/c1-21-9-15(14-5-3-12(7-16(14)21)10-27-24-2)19(20(22)23)13-4-6-17-18(8-13)26-11-25-17/h3-9,19H,10-11H2,1-2H3,(H,22,23)