tert-butyl (3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxylate CAS Name: (3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxylate Traditional Name: (3S)-3-piperonyloylpiperidine-1-carboxylic acid tert-butyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/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/h6-7,9,13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1