tert-butyl 2-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-5-phenethyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-5-phenethyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-5-phenethyl-pyrrolidine-1-carboxylate CAS Name: 2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-5-phenethyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-5-phenethylpyrrolidine-1-carboxylate Traditional Name: 2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-5-phenethyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1C(C2=CC3=C(C=C2)OCO3)O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CCC1C(C2=CC3=C(C=C2)OCO3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31NO5/c1-25(2,3)31-24(28)26-19(11-9-17-7-5-4-6-8-17)12-13-20(26)23(27)18-10-14-21-22(15-18)30-16-29-21/h4-8,10,14-15,19-20,23,27H,9,11-13,16H2,1-3H3