ethyl 4-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxy-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxy-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2-ethyl-1-oxo-5-isoquinolyl)oxy]-3-oxo-butanoate CAS Name: 4-[(2-ethyl-1-oxo-5-isoquinolinyl)oxy]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-3-oxobutanoate Traditional Name: 4-[(2-ethyl-1-keto-5-isoquinolyl)oxy]-3-keto-butyric acid ethyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)CC(=O)OCC

Isomeric SMILES

CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)CC(=O)OCC

InChI

InChI=1S/C17H19NO5/c1-3-18-9-8-13-14(17(18)21)6-5-7-15(13)23-11-12(19)10-16(20)22-4-2/h5-9H,3-4,10-11H2,1-2H3