ethyl 1-(3-oxidanyl-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: ethyl 1-(3-oxidanyl-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylate; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: ethyl 1-(3-hydroxy-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylate; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 1-(3-hydroxy-3-phenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 1-(3-hydroxy-3-phenyl-propyl)-4-phenyl-isonipecotic acid ethyl ester; (2S)-5-ketoproline Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C23H29NO3.C5H7NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;7-4-2-1-3(6-4)5(8)9/h3-12,21,25H,2,13-18H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1