2-(2,6-dimethylphenoxy)ethyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H22N2O4/c1-4-23-20(24)17-11-6-5-10-16(17)18(22-23)21(25)27-13-12-26-19-14(2)8-7-9-15(19)3/h5-11H,4,12-13H2,1-3H3