(3,4-dichlorophenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (3,4-dichlorophenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (3,4-dichlorophenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (3,4-dichlorobenzyl) ester Formula: C22H21Cl2NO3 MolecularWeight: 418.31304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=C(C=C2)Cl)Cl)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=C(C=C2)Cl)Cl)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21Cl2NO3/c23-19-8-6-17(14-20(19)24)15-28-22(27)18-10-12-25(13-11-18)21(26)9-7-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2/b9-7+