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

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C32H22N2O6 MolecularWeight: 530.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H22N2O6/c1-2-38-31(36)27-25-19-22(17-18-26(25)40-29(27)20-11-5-3-6-12-20)39-32(37)28-23-15-9-10-16-24(23)30(35)34(33-28)21-13-7-4-8-14-21/h3-19H,2H2,1H3