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

Systemtic Name: ethyl 2-(2-butyl-1-oxidanylidene-isoquinolin-5-yl)oxypropanoate Openeye Name: ethyl 2-[(2-butyl-1-oxo-5-isoquinolyl)oxy]propanoate CAS Name: 2-[(2-butyl-1-oxo-5-isoquinolinyl)oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-(2-butyl-1-oxoisoquinolin-5-yl)oxypropanoate Traditional Name: 2-[(2-butyl-1-keto-5-isoquinolyl)oxy]propionic acid ethyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC2=C(C1=O)C=CC=C2OC(C)C(=O)OCC

Isomeric SMILES

CCCCN1C=CC2=C(C1=O)C=CC=C2OC(C)C(=O)OCC

InChI

InChI=1S/C18H23NO4/c1-4-6-11-19-12-10-14-15(17(19)20)8-7-9-16(14)23-13(3)18(21)22-5-2/h7-10,12-13H,4-6,11H2,1-3H3