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

Systemtic Name: pyridin-2-yl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate dihydrochloride Openeye Name: 2-pyridyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate dihydrochloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid 2-pyridinyl ester dihydrochloride IUPAC Name: pyridin-2-yl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate dihydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid 2-pyridyl ester dihydrochloride Formula: C33H33Cl2N3O2 MolecularWeight: 574.54002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OC3=CC=CC=N3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OC3=CC=CC=N3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C33H31N3O2.2ClH/c34-26-33(28-14-6-2-7-15-28,29-16-8-3-9-17-29)21-25-36-23-19-32(20-24-36,27-12-4-1-5-13-27)31(37)38-30-18-10-11-22-35-30;;/h1-18,22H,19-21,23-25H2;2*1H