4-[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]oxy-2-methyl-phthalazin-1-one

Systemtic Name: 4-[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]oxy-2-methyl-phthalazin-1-one Openeye Name: 4-[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]oxy-2-methyl-phthalazin-1-one CAS Name: 4-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]oxy]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]oxy-2-methylphthalazin-1-one Traditional Name: 4-[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]oxy-2-methyl-phthalazin-1-one Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)OC3=C(C(OC4=CC=CC=C43)(COC)COC)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)OC3=C(C(OC4=CC=CC=C43)(COC)COC)O

InChI

InChI=1S/C22H22N2O6/c1-24-21(26)15-9-5-4-8-14(15)20(23-24)29-18-16-10-6-7-11-17(16)30-22(12-27-2,13-28-3)19(18)25/h4-11,25H,12-13H2,1-3H3