[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C36H33ClN2O3 MolecularWeight: 577.11182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H33ClN2O3/c37-32-18-16-28(17-19-32)33(40)26-42-34(41)35(29-10-4-1-5-11-29)20-23-39(24-21-35)25-22-36(27-38,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19H,20-26H2