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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-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:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C)(C)C

InChI

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