tert-butyl 2-(1-oxidanyl-2-phenethyl-4-phenyl-butyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(1-oxidanyl-2-phenethyl-4-phenyl-butyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(1-hydroxy-2-phenethyl-4-phenyl-butyl)pyrrolidine-1-carboxylate CAS Name: 2-(1-hydroxy-2-phenethyl-4-phenylbutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-hydroxy-2-phenethyl-4-phenylbutyl)pyrrolidine-1-carboxylate Traditional Name: 2-(1-hydroxy-2-phenethyl-4-phenyl-butyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C(CCC2=CC=CC=C2)CCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(C(CCC2=CC=CC=C2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C27H37NO3/c1-27(2,3)31-26(30)28-20-10-15-24(28)25(29)23(18-16-21-11-6-4-7-12-21)19-17-22-13-8-5-9-14-22/h4-9,11-14,23-25,29H,10,15-20H2,1-3H3