(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-15(23)18(13-22)19(25)14-28-21(27)17-9-11-24(12-10-17)20(26)8-7-16-5-3-2-4-6-16/h2-8,17-18,23H,9-12,14H2,1H3/b8-7+,23-15?