(5-ethanoyl-2-methoxy-phenyl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO6/c1-14(24)15-7-8-19(28-2)17(11-15)13-29-21(26)9-10-23-20(25)12-16-5-3-4-6-18(16)22(23)27/h3-8,11H,9-10,12-13H2,1-2H3