tert-butyl 4-(4-oxidanylidene-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoate

Systemtic Name: tert-butyl 4-(4-oxidanylidene-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoate Openeye Name: tert-butyl 3,5-dibenzyloxy-4-(8-benzyloxy-4-oxo-3H-phthalazin-1-yl)benzoate CAS Name: 4-(4-oxo-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-oxo-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoate Traditional Name: 3,5-dibenzoxy-4-(8-benzoxy-4-keto-3H-phthalazin-1-yl)benzoic acid tert-butyl ester Formula: C40H36N2O6 MolecularWeight: 640.72364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C3=NNC(=O)C4=C3C(=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C3=NNC(=O)C4=C3C(=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C40H36N2O6/c1-40(2,3)48-39(44)30-22-33(46-25-28-16-9-5-10-17-28)36(34(23-30)47-26-29-18-11-6-12-19-29)37-35-31(38(43)42-41-37)20-13-21-32(35)45-24-27-14-7-4-8-15-27/h4-23H,24-26H2,1-3H3,(H,42,43)