(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-12(2)10-23-19(24)16-8-6-5-7-15(16)18(22-23)21(26)28-11-14-9-17(13(3)29-14)20(25)27-4/h5-9,12H,10-11H2,1-4H3