(4-bromanyl-1-methoxy-isoquinolin-5-yl) benzoate

Systemtic Name: (4-bromanyl-1-methoxy-isoquinolin-5-yl) benzoate Openeye Name: (4-bromo-1-methoxy-5-isoquinolyl) benzoate CAS Name: benzoic acid (4-bromo-1-methoxy-5-isoquinolinyl) ester IUPAC Name: (4-bromo-1-methoxyisoquinolin-5-yl) benzoate Traditional Name: benzoic acid (4-bromo-1-methoxy-5-isoquinolyl) ester Formula: C17H12BrNO3 MolecularWeight: 358.18608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C2=C1C=CC=C2OC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=NC=C(C2=C1C=CC=C2OC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H12BrNO3/c1-21-16-12-8-5-9-14(15(12)13(18)10-19-16)22-17(20)11-6-3-2-4-7-11/h2-10H,1H3