ethyl 1-[2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]acetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]acetyl]nipecotic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O5/c1-2-29-21(28)16-7-5-10-23(13-16)19(26)12-22-18(25)14-24-11-9-15-6-3-4-8-17(15)20(24)27/h3-4,6,8-9,11,16H,2,5,7,10,12-14H2,1H3,(H,22,25)