2-(3,5-dimethylphenoxy)ethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-13-10-14(2)12-15(11-13)25-8-9-26-20(24)18-16-6-4-5-7-17(16)19(23)22(3)21-18/h4-7,10-12H,8-9H2,1-3H3