[1-cyano-6,7-dimethoxy-2-(phenylcarbonyl)-1H-isoquinolin-4-yl] benzoate

Systemtic Name: [1-cyano-6,7-dimethoxy-2-(phenylcarbonyl)-1H-isoquinolin-4-yl] benzoate Openeye Name: (2-benzoyl-1-cyano-6,7-dimethoxy-1H-isoquinolin-4-yl) benzoate CAS Name: benzoic acid (2-benzoyl-1-cyano-6,7-dimethoxy-1H-isoquinolin-4-yl) ester IUPAC Name: (2-benzoyl-1-cyano-6,7-dimethoxy-1H-isoquinolin-4-yl) benzoate Traditional Name: benzoic acid (2-benzoyl-1-cyano-6,7-dimethoxy-1H-isoquinolin-4-yl) ester Formula: C26H20N2O5 MolecularWeight: 440.4474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C26H20N2O5/c1-31-22-13-19-20(14-23(22)32-2)24(33-26(30)18-11-7-4-8-12-18)16-28(21(19)15-27)25(29)17-9-5-3-6-10-17/h3-14,16,21H,1-2H3