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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-2-8-18-14(20)11-24-16(22)7-9-19-15(21)10-12-5-3-4-6-13(12)17(19)23/h1,3-6H,7-11H2,(H,18,20)