(3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C18H22N2O4/c1-11(2)20-16(22)13-9-7-6-8-12(13)15(19-20)17(23)24-10-14(21)18(3,4)5/h6-9,11H,10H2,1-5H3