(4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-allyloxy-3-methoxy-phenyl)methylene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-allyloxy-3-methoxy-benzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C28H23NO6 MolecularWeight: 469.48532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)OCC=C

InChI

InChI=1S/C28H23NO6/c1-3-12-33-23-10-8-18(14-25(23)32-2)13-22-20-6-4-5-7-21(20)27(30)29(28(22)31)16-19-9-11-24-26(15-19)35-17-34-24/h3-11,13-15H,1,12,16-17H2,2H3/b22-13+