tert-butyl (3S)-3-[(S)-1,3-benzodioxol-5-yl(oxidanyl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(S)-1,3-benzodioxol-5-yl(oxidanyl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]piperidine-1-carboxylate CAS Name: (3S)-3-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)[C@@H](C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-8-4-5-13(10-19)16(20)12-6-7-14-15(9-12)23-11-22-14/h6-7,9,13,16,20H,4-5,8,10-11H2,1-3H3/t13-,16+/m0/s1