methyl 3-[4-[(6-oxidanylidene-2H-isoquinolin-1-yl)methyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(6-oxidanylidene-2H-isoquinolin-1-yl)methyl]phenyl]propanoate Openeye Name: methyl 3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]propanoate CAS Name: 3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(6-oxo-2H-isoquinolin-1-yl)methyl]phenyl]propanoate Traditional Name: 3-[4-[(6-keto-2H-isoquinolin-1-yl)methyl]phenyl]propionic acid methyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)CC2=C3C=CC(=O)C=C3C=CN2

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)CC2=C3C=CC(=O)C=C3C=CN2

InChI

InChI=1S/C20H19NO3/c1-24-20(23)9-6-14-2-4-15(5-3-14)12-19-18-8-7-17(22)13-16(18)10-11-21-19/h2-5,7-8,10-11,13,21H,6,9,12H2,1H3