methyl 4-[[2-(4-bromophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[2-(4-bromophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(4-bromophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C27H26BrNO6 MolecularWeight: 540.40244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)Br)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)Br)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H26BrNO6/c1-32-24-14-19-12-13-29(26(30)17-4-8-20(28)9-5-17)23(22(19)15-25(24)33-2)16-35-21-10-6-18(7-11-21)27(31)34-3/h4-11,14-15,23H,12-13,16H2,1-3H3