[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC#N)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c21-11-4-12-22-18(24)15-27-20(26)17-9-13-23(14-10-17)19(25)8-7-16-5-2-1-3-6-16/h1-3,5-8,17H,4,9-10,12-15H2,(H,22,24)/b8-7+