[(3-bromanyl-4-methoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate

Systemtic Name: [(3-bromanyl-4-methoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(3-bromo-4-methoxy-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3-bromo-4-methoxyphenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(3-bromo-4-methoxyphenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(3-bromo-4-methoxy-phenyl)-(1-isoquinolyl)methyl] ester Formula: C24H18BrNO3 MolecularWeight: 448.30862

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrNO3/c1-28-21-12-11-18(15-20(21)25)23(29-24(27)17-8-3-2-4-9-17)22-19-10-6-5-7-16(19)13-14-26-22/h2-15,23H,1H3