ethyl 2-[2-[2-(butylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-[2-(butylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(butylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(butylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(butylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-(butylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=CC2=C(C1=O)C=CC=C2OC(C)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)CN1C=CC2=C(C1=O)C=CC=C2OC(C)C(=O)OCC

InChI

InChI=1S/C20H26N2O5/c1-4-6-11-21-18(23)13-22-12-10-15-16(19(22)24)8-7-9-17(15)27-14(3)20(25)26-5-2/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,21,23)