1,3-bis(oxidanylidene)-2-(3-oxidanylidene-1-phenyl-3-phenylmethoxy-propyl)isoindole-5-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-(3-oxidanylidene-1-phenyl-3-phenylmethoxy-propyl)isoindole-5-carboxylic acid Openeye Name: 2-(3-benzyloxy-3-oxo-1-phenyl-propyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 1,3-dioxo-2-(3-oxo-1-phenyl-3-phenylmethoxypropyl)-5-isoindolecarboxylic acid IUPAC Name: 1,3-dioxo-2-(3-oxo-1-phenyl-3-phenylmethoxypropyl)isoindole-5-carboxylic acid Traditional Name: 2-(3-benzoxy-3-keto-1-phenyl-propyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19NO6/c27-22(32-15-16-7-3-1-4-8-16)14-21(17-9-5-2-6-10-17)26-23(28)19-12-11-18(25(30)31)13-20(19)24(26)29/h1-13,21H,14-15H2,(H,30,31)