[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C24H23NO6 MolecularWeight: 421.44252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H23NO6/c26-20(19-7-8-21-22(14-19)31-16-30-21)15-29-24(28)18-10-12-25(13-11-18)23(27)9-6-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15-16H2/b9-6+