dimethyl (E)-2-[4-bromanyl-1-(2-methyl-1H-indol-3-yl)-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[4-bromanyl-1-(2-methyl-1H-indol-3-yl)-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[4-bromo-1-(2-methyl-1H-indol-3-yl)-1H-isoquinolin-2-yl]but-2-enedioate CAS Name: (E)-2-[4-bromo-1-(2-methyl-1H-indol-3-yl)-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[4-bromo-1-(2-methyl-1H-indol-3-yl)-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (E)-2-[4-bromo-1-(2-methyl-1H-indol-3-yl)-1H-isoquinolin-2-yl]but-2-enedioic acid dimethyl ester Formula: C24H21BrN2O4 MolecularWeight: 481.33854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=CN3C(=CC(=O)OC)C(=O)OC)Br

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=CN3/C(=C/C(=O)OC)/C(=O)OC)Br

InChI

InChI=1S/C24H21BrN2O4/c1-14-22(17-10-6-7-11-19(17)26-14)23-16-9-5-4-8-15(16)18(25)13-27(23)20(24(29)31-3)12-21(28)30-2/h4-13,23,26H,1-3H3/b20-12+