[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H17FN2O6 MolecularWeight: 400.357183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO)F

InChI

InChI=1S/C20H17FN2O6/c1-28-17-7-6-12(10-15(17)21)16(25)11-29-20(27)18-13-4-2-3-5-14(13)19(26)23(22-18)8-9-24/h2-7,10,24H,8-9,11H2,1H3