phenyl 1-cyano-3-(3,3-diphenylpropyl)piperidine-4-carboxylate dihydrochloride

Systemtic Name: phenyl 1-cyano-3-(3,3-diphenylpropyl)piperidine-4-carboxylate dihydrochloride Openeye Name: phenyl 1-cyano-3-(3,3-diphenylpropyl)piperidine-4-carboxylate dihydrochloride CAS Name: 1-cyano-3-(3,3-diphenylpropyl)-4-piperidinecarboxylic acid phenyl ester dihydrochloride IUPAC Name: phenyl 1-cyano-3-(3,3-diphenylpropyl)piperidine-4-carboxylate dihydrochloride Traditional Name: 1-cyano-3-(3,3-diphenylpropyl)isonipecotic acid phenyl ester dihydrochloride Formula: C28H30Cl2N2O2 MolecularWeight: 497.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C(=O)OC2=CC=CC=C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C#N.Cl.Cl

Isomeric SMILES

C1CN(CC(C1C(=O)OC2=CC=CC=C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C#N.Cl.Cl

InChI

InChI=1S/C28H28N2O2.2ClH/c29-21-30-19-18-27(28(31)32-25-14-8-3-9-15-25)24(20-30)16-17-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23;;/h1-15,24,26-27H,16-20H2;2*1H