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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(tert-butylamino)-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)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-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-butylamino)-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-18(2,3)19-14(21)11-25-16(23)8-9-20-15(22)10-12-6-4-5-7-13(12)17(20)24/h4-7H,8-11H2,1-3H3,(H,19,21)