ethyl 4-[2-[5-(2-methoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[5-(2-methoxy-2-oxidanylidene-ethoxy)-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-(2-methoxy-2-oxo-ethoxy)-1-oxo-2-isoquinolyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-(2-methoxy-2-oxoethoxy)-1-oxo-2-isoquinolinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-(2-methoxy-2-oxoethoxy)-1-oxoisoquinolin-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-keto-5-(2-keto-2-methoxy-ethoxy)-2-isoquinolyl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

InChI

InChI=1S/C21H25N3O7/c1-3-30-21(28)23-11-9-22(10-12-23)18(25)13-24-8-7-15-16(20(24)27)5-4-6-17(15)31-14-19(26)29-2/h4-8H,3,9-14H2,1-2H3