2-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]isoindole-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]isoindoline-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]isoindole-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]isoindoline-1,3-quinone Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H21NO4/c27-24-20-8-4-5-9-21(20)25(28)26(24)13-12-19(14-17-6-2-1-3-7-17)18-10-11-22-23(15-18)30-16-29-22/h1-11,15,19H,12-14,16H2