ethyl (Z)-3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-4-ethoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: ethyl (Z)-3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-4-ethoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: ethyl (Z)-3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-4-ethoxy-4-hydroxy-2-oxo-but-3-enoate CAS Name: (Z)-3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-4-ethoxy-4-hydroxy-2-oxo-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-4-ethoxy-4-hydroxy-2-oxobut-3-enoate Traditional Name: (Z)-4-ethoxy-4-hydroxy-3-[2-(2-imidazolin-2-yl)-1H-phthalazin-1-yl]-2-keto-but-3-enoic acid ethyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1C2=CC=CC=C2C=NN1C3=NCCN3)C(=O)C(=O)OCC)O

Isomeric SMILES

CCO/C(=C(/C1C2=CC=CC=C2C=NN1C3=NCCN3)\C(=O)C(=O)OCC)/O

InChI

InChI=1S/C19H22N4O5/c1-3-27-17(25)14(16(24)18(26)28-4-2)15-13-8-6-5-7-12(13)11-22-23(15)19-20-9-10-21-19/h5-8,11,15,25H,3-4,9-10H2,1-2H3,(H,20,21)/b17-14-