ethyl 4-[2-[2-(2-ethoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]oxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(2-ethoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[2-(2-ethoxyethyl)-1-oxo-5-isoquinolyl]oxy]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-(2-ethoxyethyl)-1-oxo-5-isoquinolinyl]oxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(2-ethoxyethyl)-1-keto-5-isoquinolyl]oxy]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H29N3O6/c1-3-29-15-14-24-9-8-17-18(21(24)27)6-5-7-19(17)31-16-20(26)23-10-12-25(13-11-23)22(28)30-4-2/h5-9H,3-4,10-16H2,1-2H3