[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate

Systemtic Name: [(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(4-benzyloxy-3-bromo-5-methoxy-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(4-benzoxy-3-bromo-5-methoxy-phenyl)-(1-isoquinolyl)methyl] ester Formula: C31H24BrNO4 MolecularWeight: 554.43056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C31H24BrNO4/c1-35-27-19-24(18-26(32)30(27)36-20-21-10-4-2-5-11-21)29(37-31(34)23-13-6-3-7-14-23)28-25-15-9-8-12-22(25)16-17-33-28/h2-19,29H,20H2,1H3