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

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-11(2)22-18(23)15-8-6-5-7-14(15)16(21-22)19(24)27-10-13-9-12(3)17(28-13)20(25)26-4/h5-9,11H,10H2,1-4H3