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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: [2-(1,1-dimethylpropylamino)-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-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-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-amylamino)-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-4-18(2,3)19-14(21)11-25-16(23)10-20-15(22)9-12-7-5-6-8-13(12)17(20)24/h5-8H,4,9-11H2,1-3H3,(H,19,21)