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

Systemtic Name: [(3-bromanyl-4-phenylmethoxy-phenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(4-benzyloxy-3-bromo-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3-bromo-4-phenylmethoxyphenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(3-bromo-4-phenylmethoxyphenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(4-benzoxy-3-bromo-phenyl)-(1-isoquinolyl)methyl] ester Formula: C30H22BrNO3 MolecularWeight: 524.40458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)Br

InChI

InChI=1S/C30H22BrNO3/c31-26-19-24(15-16-27(26)34-20-21-9-3-1-4-10-21)29(35-30(33)23-12-5-2-6-13-23)28-25-14-8-7-11-22(25)17-18-32-28/h1-19,29H,20H2