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

Systemtic Name: [2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-[4-(4-bromophenyl)phenyl]-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-[4-(4-bromophenyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl] ester Formula: C29H26BrNO4 MolecularWeight: 532.42504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H26BrNO4/c30-26-13-11-23(12-14-26)22-7-9-24(10-8-22)27(32)20-35-29(34)25-16-18-31(19-17-25)28(33)15-6-21-4-2-1-3-5-21/h1-15,25H,16-20H2/b15-6+