ethyl 1-[2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]acetyl]isonipecotic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H27N3O5/c1-3-30-22(29)16-8-10-24(11-9-16)20(27)13-23-19(26)14-25-15(2)12-17-6-4-5-7-18(17)21(25)28/h4-7,12,16H,3,8-11,13-14H2,1-2H3,(H,23,26)