(3E)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylidene]-2-phenyl-isoindol-1-one

Systemtic Name: (3E)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylidene]-2-phenyl-isoindol-1-one Openeye Name: (3E)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylidene]-2-phenyl-isoindolin-1-one CAS Name: (3E)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylidene]-2-phenyl-1-isoindolone IUPAC Name: (3E)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylidene]-2-phenylisoindol-1-one Traditional Name: (3E)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)butylidene]-2-phenyl-isoindolin-1-one Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCC/C(=C\1/C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)/C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H23NO3/c1-2-8-20(18-13-14-23-24(17-18)30-16-15-29-23)25-21-11-6-7-12-22(21)26(28)27(25)19-9-4-3-5-10-19/h3-7,9-14,17H,2,8,15-16H2,1H3/b25-20+