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

Systemtic Name: (4E)-4-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-allyloxy-3-methoxy-phenyl)methylene]-2-(o-tolyl)isoquinoline-1,3-dione CAS Name: (4E)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-allyloxy-3-methoxy-benzylidene)-2-(o-tolyl)isoquinoline-1,3-quinone Formula: C27H23NO4 MolecularWeight: 425.47582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)OCC=C)OC)C2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3/C(=C\C4=CC(=C(C=C4)OCC=C)OC)/C2=O

InChI

InChI=1S/C27H23NO4/c1-4-15-32-24-14-13-19(17-25(24)31-3)16-22-20-10-6-7-11-21(20)26(29)28(27(22)30)23-12-8-5-9-18(23)2/h4-14,16-17H,1,15H2,2-3H3/b22-16+