(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C28H22N2O6 MolecularWeight: 482.48408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OC(=C4C(=O)OCC)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OC(=C4C(=O)OCC)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O6/c1-3-30-26(31)20-13-9-8-12-19(20)24(29-30)28(33)35-18-14-15-22-21(16-18)23(27(32)34-4-2)25(36-22)17-10-6-5-7-11-17/h5-16H,3-4H2,1-2H3