(3,5-dimethylphenyl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid (3,5-dimethylbenzyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)C

InChI

InChI=1S/C20H19N3O4/c1-12-7-13(2)9-14(8-12)11-27-17(24)10-23-20(26)16-6-4-3-5-15(16)18(22-23)19(21)25/h3-9H,10-11H2,1-2H3,(H2,21,25)