[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)C)C

InChI

InChI=1S/C22H22N2O5/c1-13-10-15(3)18(11-14(13)2)19(26)12-29-22(28)20-16-6-4-5-7-17(16)21(27)24(23-20)8-9-25/h4-7,10-11,25H,8-9,12H2,1-3H3