4-(4-oxidanylidene-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoic acid

Systemtic Name: 4-(4-oxidanylidene-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoic acid Openeye Name: 3,5-dibenzyloxy-4-(8-benzyloxy-4-oxo-3H-phthalazin-1-yl)benzoic acid CAS Name: 4-(4-oxo-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoic acid IUPAC Name: 4-(4-oxo-8-phenylmethoxy-3H-phthalazin-1-yl)-3,5-bis(phenylmethoxy)benzoic acid Traditional Name: 3,5-dibenzoxy-4-(8-benzoxy-4-keto-3H-phthalazin-1-yl)benzoic acid Formula: C36H28N2O6 MolecularWeight: 584.61732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=NNC3=O)C4=C(C=C(C=C4OCC5=CC=CC=C5)C(=O)O)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=NNC3=O)C4=C(C=C(C=C4OCC5=CC=CC=C5)C(=O)O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H28N2O6/c39-35-28-17-10-18-29(42-21-24-11-4-1-5-12-24)32(28)34(37-38-35)33-30(43-22-25-13-6-2-7-14-25)19-27(36(40)41)20-31(33)44-23-26-15-8-3-9-16-26/h1-20H,21-23H2,(H,38,39)(H,40,41)