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

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-4-(phenylcarbonyl)-4H-isoquinolin-2-yl]butanoate Openeye Name: ethyl 4-(4-benzoyl-1,3-dioxo-4H-isoquinolin-2-yl)butanoate CAS Name: 4-(4-benzoyl-1,3-dioxo-4H-isoquinolin-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoyl-1,3-dioxo-4H-isoquinolin-2-yl)butanoate Traditional Name: 4-(4-benzoyl-1,3-diketo-4H-isoquinolin-2-yl)butyric acid ethyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-2-28-18(24)13-8-14-23-21(26)17-12-7-6-11-16(17)19(22(23)27)20(25)15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3