(1-methoxyisoquinolin-5-yl) benzoate

Systemtic Name: (1-methoxyisoquinolin-5-yl) benzoate Openeye Name: (1-methoxy-5-isoquinolyl) benzoate CAS Name: benzoic acid (1-methoxy-5-isoquinolinyl) ester IUPAC Name: (1-methoxyisoquinolin-5-yl) benzoate Traditional Name: benzoic acid (1-methoxy-5-isoquinolyl) ester Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC2=C1C=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=NC=CC2=C1C=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13NO3/c1-20-16-14-8-5-9-15(13(14)10-11-18-16)21-17(19)12-6-3-2-4-7-12/h2-11H,1H3