[(2-bromanyl-4,5-dimethoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate

Systemtic Name: [(2-bromanyl-4,5-dimethoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(2-bromo-4,5-dimethoxy-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(2-bromo-4,5-dimethoxyphenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(2-bromo-4,5-dimethoxyphenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(2-bromo-4,5-dimethoxy-phenyl)-(1-isoquinolyl)methyl] ester Formula: C25H20BrNO4 MolecularWeight: 478.3346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C25H20BrNO4/c1-29-21-14-19(20(26)15-22(21)30-2)24(31-25(28)17-9-4-3-5-10-17)23-18-11-7-6-8-16(18)12-13-27-23/h3-15,24H,1-2H3