ethyl 1-(2-ethyl-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-ethyl-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-ethyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(2-ethyl-6,7-dimethoxy-1-oxo-4-isoquinolinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-ethyl-1-keto-6,7-dimethoxy-isoquinoline-4-carbonyl)nipecotic acid ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C22H28N2O6/c1-5-23-13-17(15-10-18(28-3)19(29-4)11-16(15)20(23)25)21(26)24-9-7-8-14(12-24)22(27)30-6-2/h10-11,13-14H,5-9,12H2,1-4H3