dimethyl (E)-2-[1-(3-bromanylprop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-(3-bromanylprop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-(3-bromoprop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate CAS Name: (E)-2-[1-(3-bromoprop-1-ynyl)-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-(3-bromoprop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (E)-2-[1-(3-bromoprop-1-ynyl)-1H-isoquinolin-2-yl]but-2-enedioic acid dimethyl ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C=CC2=CC=CC=C2C1C#CCBr

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1C=CC2=CC=CC=C2C1C#CCBr

InChI

InChI=1S/C18H16BrNO4/c1-23-17(21)12-16(18(22)24-2)20-11-9-13-6-3-4-7-14(13)15(20)8-5-10-19/h3-4,6-7,9,11-12,15H,10H2,1-2H3/b16-12+