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

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-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-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H19N3O7/c24-16(22-20(28)21-11-14-5-3-9-29-14)12-30-18(26)7-8-23-17(25)10-13-4-1-2-6-15(13)19(23)27/h1-6,9H,7-8,10-12H2,(H2,21,22,24,28)