methyl 4,5-dimethoxy-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate Traditional Name: 2-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C23H25N3O6/c1-13(2)12-26-22(28)15-9-7-6-8-14(15)20(25-26)21(27)24-17-11-19(31-4)18(30-3)10-16(17)23(29)32-5/h6-11,13H,12H2,1-5H3,(H,24,27)