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

Systemtic Name: pyridin-3-yl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate dihydrochloride Openeye Name: 3-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 3-pyridinyl ester dihydrochloride IUPAC Name: pyridin-3-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 3-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=CN=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OC3=CN=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

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