1-(1,3-benzodioxol-5-yl)-1-[6-[bis(oxidanyl)methyl]-1-methyl-indol-3-yl]propan-2-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-1-[6-[bis(oxidanyl)methyl]-1-methyl-indol-3-yl]propan-2-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-[6-(dihydroxymethyl)-1-methyl-indol-3-yl]propan-2-one CAS Name: 1-(1,3-benzodioxol-5-yl)-1-[6-(dihydroxymethyl)-1-methyl-3-indolyl]-2-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-1-[6-(dihydroxymethyl)-1-methylindol-3-yl]propan-2-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-[6-(dihydroxymethyl)-1-methyl-indol-3-yl]acetone Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC2=C(C=C1)OCO2)C3=CN(C4=C3C=CC(=C4)C(O)O)C

Isomeric SMILES

CC(=O)C(C1=CC2=C(C=C1)OCO2)C3=CN(C4=C3C=CC(=C4)C(O)O)C

InChI

InChI=1S/C20H19NO5/c1-11(22)19(12-4-6-17-18(8-12)26-10-25-17)15-9-21(2)16-7-13(20(23)24)3-5-14(15)16/h3-9,19-20,23-24H,10H2,1-2H3