1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylic acid; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate; sulfuric acid

Systemtic Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylic acid; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate; sulfuric acid Openeye Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylic acid; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate; sulfuric acid CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid; 3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; sulfuric acid IUPAC Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; sulfuric acid Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid; 3-hydroxy-2-phenyl-propionic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; sulfuric acid Formula: C62H76N4O12S MolecularWeight: 1101.35144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.OS(=O)(=O)O

Isomeric SMILES

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.OS(=O)(=O)O

InChI

InChI=1S/C28H28N2O2.2C17H23NO3.H2O4S/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h1-15H,16-21H2,(H,31,32);2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t;2*13-,14+,15?,16?;