(E)-1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione

Systemtic Name: (E)-1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione Openeye Name: (E)-1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione CAS Name: (E)-1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-butene-1,4-dione IUPAC Name: (E)-1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione Traditional Name: (E)-1,4-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)but-2-ene-1,4-dione Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C=CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

InChI

InChI=1S/C26H30N2O6/c1-31-21-11-17-7-9-27(15-19(17)13-23(21)33-3)25(29)5-6-26(30)28-10-8-18-12-22(32-2)24(34-4)14-20(18)16-28/h5-6,11-14H,7-10,15-16H2,1-4H3/b6-5+