(4,5-dimethoxy-2-methyl-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)OC)OC

InChI

InChI=1S/C23H26N2O5/c1-14(2)12-25-22(26)18-9-7-6-8-17(18)21(24-25)23(27)30-13-16-11-20(29-5)19(28-4)10-15(16)3/h6-11,14H,12-13H2,1-5H3