(2,5-dimethylphenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C20H20N2O4/c1-13-7-8-14(2)15(11-13)12-26-20(25)18-16-5-3-4-6-17(16)19(24)22(21-18)9-10-23/h3-8,11,23H,9-10,12H2,1-2H3