methyl 2-(1-cyano-5,6,7-trimethoxy-isoquinolin-8-yl)ethanoate

Systemtic Name: methyl 2-(1-cyano-5,6,7-trimethoxy-isoquinolin-8-yl)ethanoate Openeye Name: methyl 2-(1-cyano-5,6,7-trimethoxy-8-isoquinolyl)acetate CAS Name: 2-(1-cyano-5,6,7-trimethoxy-8-isoquinolinyl)acetic acid methyl ester IUPAC Name: methyl 2-(1-cyano-5,6,7-trimethoxyisoquinolin-8-yl)acetate Traditional Name: 2-(1-cyano-5,6,7-trimethoxy-8-isoquinolyl)acetic acid methyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CN=C2C#N)CC(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CN=C2C#N)CC(=O)OC)OC)OC

InChI

InChI=1S/C16H16N2O5/c1-20-12(19)7-10-13-9(5-6-18-11(13)8-17)14(21-2)16(23-4)15(10)22-3/h5-6H,7H2,1-4H3