(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H22N4O4 MolecularWeight: 370.40238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H22N4O4/c1-13(21)16(11-20)17(24)12-27-18(25)14-7-9-23(10-8-14)19(26)22-15-5-3-2-4-6-15/h2-6,14,16,21H,7-10,12H2,1H3,(H,22,26)