tert-butyl 4-oxidanyl-2-[[2-(4-phenylbutyl)phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-oxidanyl-2-[[2-(4-phenylbutyl)phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-2-[[2-(4-phenylbutyl)phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[[2-(4-phenylbutyl)phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-2-[[2-(4-phenylbutyl)phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[[2-(4-phenylbutyl)phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1COC2=CC=CC=C2CCCCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1COC2=CC=CC=C2CCCCC3=CC=CC=C3)O

InChI

InChI=1S/C26H35NO4/c1-26(2,3)31-25(29)27-18-23(28)17-22(27)19-30-24-16-10-9-15-21(24)14-8-7-13-20-11-5-4-6-12-20/h4-6,9-12,15-16,22-23,28H,7-8,13-14,17-19H2,1-3H3