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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c28-23(26-16-13-21-9-5-2-6-10-21)19-31-25(30)22-14-17-27(18-15-22)24(29)12-11-20-7-3-1-4-8-20/h1-12,22H,13-19H2,(H,26,28)/b12-11+