2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]-1,2-diazinane-1,3-dicarboxylate

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]-1,2-diazinane-1,3-dicarboxylate Openeye Name: 2-[5-benzyloxy-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoyl]hexahydropyridazine-1,3-dicarboxylate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)-1,5-dioxo-5-phenylmethoxypentyl]diazinane-1,3-dicarboxylate IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylmethoxypentanoyl]diazinane-1,3-dicarboxylate Traditional Name: 2-(5-benzoxy-5-keto-2-phthalimido-pentanoyl)hexahydropyridazine-1,3-dicarboxylate Formula: C26H23N3O9-2 MolecularWeight: 521.47552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(N(C1)C(=O)[O-])C(=O)C(CCC(=O)OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)[O-]

Isomeric SMILES

C1CC(N(N(C1)C(=O)[O-])C(=O)C(CCC(=O)OCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)[O-]

InChI

InChI=1S/C26H25N3O9/c30-21(38-15-16-7-2-1-3-8-16)13-12-19(28-22(31)17-9-4-5-10-18(17)23(28)32)24(33)29-20(25(34)35)11-6-14-27(29)26(36)37/h1-5,7-10,19-20H,6,11-15H2,(H,34,35)(H,36,37)/p-2