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

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O4/c1-17-14-18(2)16-20(15-17)30-12-13-31-25(29)23-21-10-6-7-11-22(21)24(28)27(26-23)19-8-4-3-5-9-19/h3-11,14-16H,12-13H2,1-2H3