(2,6-dimethoxyphenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2,6-dimethoxyphenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (2,6-dimethoxyphenyl) ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H22N2O5/c1-13(2)12-23-20(24)15-9-6-5-8-14(15)18(22-23)21(25)28-19-16(26-3)10-7-11-17(19)27-4/h5-11,13H,12H2,1-4H3