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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(isopentylcarbamoylamino)-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-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6/c1-13(2)7-9-21-20(28)22-16(24)12-29-18(26)8-10-23-17(25)11-14-5-3-4-6-15(14)19(23)27/h3-6,13H,7-12H2,1-2H3,(H2,21,22,24,28)