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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: [2-oxo-2-(phenethylamino)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-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)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-(phenethylamino)ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c25-19(23-12-10-16-6-2-1-3-7-16)15-29-21(27)11-13-24-20(26)14-17-8-4-5-9-18(17)22(24)28/h1-9H,10-15H2,(H,23,25)