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

Systemtic Name: phenacyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: phenacyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid phenacyl ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO5/c22-17(14-6-2-1-3-7-14)13-26-19(24)10-11-21-18(23)12-15-8-4-5-9-16(15)20(21)25/h1-9H,10-13H2