methyl 4-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propoxy]benzoic acid methyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C26H24N2O5/c1-17-7-9-18(10-8-17)24-22-5-3-4-6-23(22)25(30)28(27-24)15-20(29)16-33-21-13-11-19(12-14-21)26(31)32-2/h3-14,20,29H,15-16H2,1-2H3