pyridin-2-ylmethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrate dihydrochloride

Systemtic Name: pyridin-2-ylmethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrate dihydrochloride Openeye Name: 2-pyridylmethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrate dihydrochloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid 2-pyridinylmethyl ester hydrate dihydrochloride IUPAC Name: pyridin-2-ylmethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrate dihydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid 2-pyridylmethyl ester hydrate dihydrochloride Formula: C34H37Cl2N3O3 MolecularWeight: 606.58188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.O.Cl.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC3=CC=CC=N3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.O.Cl.Cl

InChI

InChI=1S/C34H33N3O2.2ClH.H2O/c35-27-34(29-14-6-2-7-15-29,30-16-8-3-9-17-30)21-25-37-23-19-33(20-24-37,28-12-4-1-5-13-28)32(38)39-26-31-18-10-11-22-36-31;;;/h1-18,22H,19-21,23-26H2;2*1H;1H2