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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H21N3O6/c1-18(2,3)20-17(26)19-13(22)10-27-15(24)9-21-14(23)8-11-6-4-5-7-12(11)16(21)25/h4-7H,8-10H2,1-3H3,(H2,19,20,22,26)