ethyl 2-(2-decyl-1-oxidanylidene-isoquinolin-5-yl)oxypropanoate

Systemtic Name: ethyl 2-(2-decyl-1-oxidanylidene-isoquinolin-5-yl)oxypropanoate Openeye Name: ethyl 2-[(2-decyl-1-oxo-5-isoquinolyl)oxy]propanoate CAS Name: 2-[(2-decyl-1-oxo-5-isoquinolinyl)oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-decyl-1-oxoisoquinolin-5-yl)oxypropanoate Traditional Name: 2-[(2-decyl-1-keto-5-isoquinolyl)oxy]propionic acid ethyl ester Formula: C24H35NO4 MolecularWeight: 401.539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=CC2=C(C1=O)C=CC=C2OC(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCN1C=CC2=C(C1=O)C=CC=C2OC(C)C(=O)OCC

InChI

InChI=1S/C24H35NO4/c1-4-6-7-8-9-10-11-12-17-25-18-16-20-21(23(25)26)14-13-15-22(20)29-19(3)24(27)28-5-2/h13-16,18-19H,4-12,17H2,1-3H3