ethyl 4-[2-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxyethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxyethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(2-ethyl-1-oxo-5-isoquinolyl)oxy]acetyl]amino]benzoate CAS Name: 4-[[2-[(2-ethyl-1-oxo-5-isoquinolinyl)oxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-ethyl-1-keto-5-isoquinolyl)oxy]acetyl]amino]benzoic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H22N2O5/c1-3-24-13-12-17-18(21(24)26)6-5-7-19(17)29-14-20(25)23-16-10-8-15(9-11-16)22(27)28-4-2/h5-13H,3-4,14H2,1-2H3,(H,23,25)