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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1(CCN(CC1)C(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1(CCN(CC1)C(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-14(22)17(12-21)18(25)13-27-19(26)20(16-6-4-3-5-7-16)8-10-23(11-9-20)15(2)24/h3-7,17,22H,8-11,13H2,1-2H3