(E)-4-(2,3-dimethoxy-8-oxidanylidene-5,6-dihydroisoindolo[1,2-a]isoquinolin-12b-yl)but-2-enal

Systemtic Name: (E)-4-(2,3-dimethoxy-8-oxidanylidene-5,6-dihydroisoindolo[1,2-a]isoquinolin-12b-yl)but-2-enal Openeye Name: (E)-4-(2,3-dimethoxy-8-oxo-5,6-dihydroisoindolo[1,2-a]isoquinolin-12b-yl)but-2-enal CAS Name: (E)-4-(2,3-dimethoxy-8-oxo-5,6-dihydroisoindolo[1,2-a]isoquinolin-12b-yl)-2-butenal IUPAC Name: (E)-4-(2,3-dimethoxy-8-oxo-5,6-dihydroisoindolo[1,2-a]isoquinolin-12b-yl)but-2-enal Traditional Name: (E)-4-(8-keto-2,3-dimethoxy-5,6-dihydroisoindol[1,2-a]isoquinolin-12b-yl)but-2-enal Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2(C4=CC=CC=C4C3=O)CC=CC=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2(C4=CC=CC=C4C3=O)C/C=C/C=O)OC

InChI

InChI=1S/C22H21NO4/c1-26-19-13-15-9-11-23-21(25)16-7-3-4-8-17(16)22(23,10-5-6-12-24)18(15)14-20(19)27-2/h3-8,12-14H,9-11H2,1-2H3/b6-5+