[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H20N2O6/c1-14(25)23-17-8-6-15(7-9-17)19(26)13-30-21(28)10-11-24-20(27)12-16-4-2-3-5-18(16)22(24)29/h2-9H,10-13H2,1H3,(H,23,25)