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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)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-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O5/c1-2-12-22-21(28)23-18(25)15-29-20(27)17-10-13-24(14-11-17)19(26)9-8-16-6-4-3-5-7-16/h3-9,17H,2,10-15H2,1H3,(H2,22,23,25,28)/b9-8+