2-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-N-(3-oxidanyl-1-phenyl-butyl)butanediamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-N-(3-oxidanyl-1-phenyl-butyl)butanediamide Openeye Name: 2-(1,3-dioxobenzo[f]isoindol-2-yl)-N-(3-hydroxy-1-phenyl-butyl)butanediamide CAS Name: 2-(1,3-dioxo-2-benzo[f]isoindolyl)-N-(3-hydroxy-1-phenylbutyl)butanediamide IUPAC Name: 2-(1,3-dioxobenzo[f]isoindol-2-yl)-N-(3-hydroxy-1-phenylbutyl)butanediamide Traditional Name: 2-(1,3-diketobenz[f]isoindol-2-yl)-N-(3-hydroxy-1-phenyl-butyl)succinamide Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)O

Isomeric SMILES

CC(CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)O

InChI

InChI=1S/C26H25N3O5/c1-15(30)11-21(16-7-3-2-4-8-16)28-24(32)22(14-23(27)31)29-25(33)19-12-17-9-5-6-10-18(17)13-20(19)26(29)34/h2-10,12-13,15,21-22,30H,11,14H2,1H3,(H2,27,31)(H,28,32)