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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-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-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C19H23N3O6/c1-19(2,3)21-18(27)20-14(23)11-28-16(25)8-9-22-15(24)10-12-6-4-5-7-13(12)17(22)26/h4-7H,8-11H2,1-3H3,(H2,20,21,23,27)