1-[2-[4-butanoyl-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[4-butanoyl-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-butanoyl-1,3-dioxo-4H-isoquinolin-2-yl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[1,3-dioxo-4-(1-oxobutyl)-4H-isoquinolin-2-yl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-butanoyl-1,3-dioxo-4H-isoquinolin-2-yl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(4-butyryl-1,3-diketo-4H-isoquinolin-2-yl)acetyl]proline Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCCC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C20H22N2O6/c1-2-6-15(23)17-12-7-3-4-8-13(12)18(25)22(19(17)26)11-16(24)21-10-5-9-14(21)20(27)28/h3-4,7-8,14,17H,2,5-6,9-11H2,1H3,(H,27,28)