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

Systemtic Name: (2,6-dimethoxyphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-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:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC=C3OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H22N2O5/c1-4-5-13-23-20(24)15-10-7-6-9-14(15)18(22-23)21(25)28-19-16(26-2)11-8-12-17(19)27-3/h6-12H,4-5,13H2,1-3H3