(2-methylsulfanylphenyl) 1-(3-cyano-3,3-diphenyl-propyl)-3-methyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (2-methylsulfanylphenyl) 1-(3-cyano-3,3-diphenyl-propyl)-3-methyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (2-methylsulfanylphenyl) 1-(3-cyano-3,3-diphenyl-propyl)-3-methyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-3-methyl-4-phenyl-4-piperidinecarboxylic acid [2-(methylthio)phenyl] ester IUPAC Name: (2-methylsulfanylphenyl) 1-(3-cyano-3,3-diphenylpropyl)-3-methyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-3-methyl-4-phenyl-isonipecotic acid [2-(methylthio)phenyl] ester Formula: C36H36N2O2S MolecularWeight: 560.74824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3SC)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCC1(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3SC)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H36N2O2S/c1-28-26-38(24-22-35(27-37,29-14-6-3-7-15-29)30-16-8-4-9-17-30)25-23-36(28,31-18-10-5-11-19-31)34(39)40-32-20-12-13-21-33(32)41-2/h3-21,28H,22-26H2,1-2H3