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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H23N3O6/c24-16(22-20(28)21-14-6-2-3-7-14)12-29-18(26)9-10-23-17(25)11-13-5-1-4-8-15(13)19(23)27/h1,4-5,8,14H,2-3,6-7,9-12H2,(H2,21,22,24,28)