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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-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-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O6/c25-17(23-21(29)22-15-7-2-1-3-8-15)13-30-19(27)10-11-24-18(26)12-14-6-4-5-9-16(14)20(24)28/h4-6,9,15H,1-3,7-8,10-13H2,(H2,22,23,25,29)