(2-chloranyl-6-fluoranyl-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (2-chloro-6-fluoro-benzyl) ester Formula: C22H21ClFNO3 MolecularWeight: 401.858443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=CC=C2Cl)F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=CC=C2Cl)F)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21ClFNO3/c23-19-7-4-8-20(24)18(19)15-28-22(27)17-11-13-25(14-12-17)21(26)10-9-16-5-2-1-3-6-16/h1-10,17H,11-15H2/b10-9+