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

Systemtic Name: 1,3-benzodioxol-5-yl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H21NO5/c24-21(9-6-16-4-2-1-3-5-16)23-12-10-17(11-13-23)22(25)28-18-7-8-19-20(14-18)27-15-26-19/h1-9,14,17H,10-13,15H2/b9-6+