2-phenoxyethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride

Systemtic Name: 2-phenoxyethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate hydrochloride Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester hydrochloride IUPAC Name: 2-phenoxyethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid 2-phenoxyethyl ester hydrochloride Formula: C36H37ClN2O3 MolecularWeight: 581.14358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCCOC3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCCOC3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C36H36N2O3.ClH/c37-29-36(31-15-7-2-8-16-31,32-17-9-3-10-18-32)23-26-38-24-21-35(22-25-38,30-13-5-1-6-14-30)34(39)41-28-27-40-33-19-11-4-12-20-33;/h1-20H,21-28H2;1H