(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C25H30N2O3/c1-7-12-27-23(28)20-11-9-8-10-19(20)22(26-27)24(29)30-15-21-16(2)13-18(14-17(21)3)25(4,5)6/h8-11,13-14H,7,12,15H2,1-6H3