[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride Openeye Name: (2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester hydrochloride IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid succinimido ester hydrochloride Formula: C32H32ClN3O4 MolecularWeight: 558.06718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C32H31N3O4.ClH/c33-24-32(26-12-6-2-7-13-26,27-14-8-3-9-15-27)20-23-34-21-18-31(19-22-34,25-10-4-1-5-11-25)30(38)39-35-28(36)16-17-29(35)37;/h1-15H,16-23H2;1H