N-[2,5-dimethoxy-4-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]phenyl]benzamide Traditional Name: N-[4-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]-2,5-dimethoxy-phenyl]benzamide Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H25N3O5/c1-17-19-11-7-8-12-20(19)27(33)30(17)14-13-25(31)28-21-15-24(35-3)22(16-23(21)34-2)29-26(32)18-9-5-4-6-10-18/h4-12,15-16H,1,13-14H2,2-3H3,(H,28,31)(H,29,32)